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Oprea1_387963,ZINC02824618, 3-(9-ethylcarbazol-2-yl)-1-phenylpyrazole-

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摘 要:Oprea1_387963,ZINC02824618, 3-(9-ethylcarbazol-2-yl)-1-phenylpyrazole-4-carbaldehyde,Canonical SMILES: CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C4=NN(C=C4C=O)C5=CC=CC=C5,InChI: InChI=1/C24H19N3O/c1-2-26-22-11-7-6-10-20(22)21-13-12-17(14-23(21)26)24-,18(16-28)15-
[Synonyms]
Oprea1_387963
ZINC02824618

[Structure]
Oprea1_387963,ZINC02824618, 3-(9-ethylcarbazol-2-yl)-1-phenylpyrazole-

[ Properties Computed from Structure]
Molecular Weight365.42716 [g/mol]
Molecular FormulaC24H19N3O
XLogP5.9
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass365.152812
MonoIsotopic Mass365.152812
Topological Polar Surface Area39.8
Heavy Atom Count28
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(9-ethylcarbazol-2-yl)-1-phenylpyrazole-4-carbaldehyde
Canonical SMILES: CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C4=NN(C=C4C=O)C5=CC=CC=C5
InChI: InChI=1/C24H19N3O/c1-2-26-22-11-7-6-10-20(22)21-13-12-17(14-23(21)26)24-
18(16-28)15-27(25-24)19-8-4-3-5-9-19/h3-16H,2H2,1H3

 
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