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N'-(3-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide,Canonical SMILE

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摘 要: N'-(3-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide,Canonical SMILES: CC(C)OC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=NC=C2,InChI: InChI=1/C16H17N3O3/c1-11(2)22-14-5-3-4-13(10-14)16(21)19-18-15(20)12-6-,8-17-9-7-12/h3-11H,1-2H3,(H,18,20)(H,19,21)/f/h18-19H,M
[Synonyms]

[Structure]
 N'-(3-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide,Canonical SMILE

[ Properties Computed from Structure]
Molecular Weight299.32448 [g/mol]
Molecular FormulaC16H17N3O3
XLogP2.6
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count5
Exact Mass299.126991
MonoIsotopic Mass299.126991
Topological Polar Surface Area80.3
Heavy Atom Count22
Formal Charge0
Complexity381
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: N'-(3-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
Canonical SMILES: CC(C)OC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=NC=C2
InChI: InChI=1/C16H17N3O3/c1-11(2)22-14-5-3-4-13(10-14)16(21)19-18-15(20)12-6-
8-17-9-7-12/h3-11H,1-2H3,(H,18,20)(H,19,21)/f/h18-19H

 
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