13-oxidanylidene-N'-pyridin-3-ylcarbonyl-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide

Systemtic Name: 13-oxidanylidene-N'-pyridin-3-ylcarbonyl-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide Openeye Name: 13-oxo-N'-(pyridine-3-carbonyl)-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide CAS Name: 13-oxo-N'-[oxo(3-pyridinyl)methyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide IUPAC Name: 13-oxo-N'-(pyridine-3-carbonyl)-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide Traditional Name: 13-keto-N'-nicotinoyl-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)NNC(=O)C4=CN=CC=C4)CC1

Isomeric SMILES

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)NNC(=O)C4=CN=CC=C4)CC1

InChI

InChI=1S/C21H21N5O3/c27-19(24-25-20(28)15-6-5-10-22-13-15)14-8-9-16-17(12-14)23-18-7-3-1-2-4-11-26(18)21(16)29/h5-6,8-10,12-13H,1-4,7,11H2,(H,24,27)(H,25,28)