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

Systemtic Name: N-(2-cyanoethyl)-12-oxidanylidene-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(2-cyanoethyl)-12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(2-cyanoethyl)-12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(2-cyanoethyl)-12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(2-cyanoethyl)-12-keto-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2/c24-13-7-15-26(18-8-3-1-4-9-18)22(28)17-11-12-19-20(16-17)25-21-10-5-2-6-14-27(21)23(19)29/h1,3-4,8-9,11-12,16H,2,5-7,10,14-15H2