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

Systemtic Name: N-(3-chlorophenyl)-N-ethyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(3-chlorophenyl)-N-ethyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(3-chlorophenyl)-N-ethyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(3-chlorophenyl)-N-ethyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(3-chlorophenyl)-N-ethyl-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C22H22ClN3O2/c1-2-25(17-8-6-7-16(23)14-17)21(27)15-10-11-18-19(13-15)24-20-9-4-3-5-12-26(20)22(18)28/h6-8,10-11,13-14H,2-5,9,12H2,1H3