N-(5-chloranyl-2-cyano-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(5-chloro-2-cyanophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)Cl)C#N)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)Cl)C#N)C(=O)N2CC1

InChI

InChI=1S/C21H17ClN4O2/c22-15-7-5-14(12-23)17(11-15)25-20(27)13-6-8-16-18(10-13)24-19-4-2-1-3-9-26(19)21(16)28/h5-8,10-11H,1-4,9H2,(H,25,27)