N-[(4-methylphenyl)-phenyl-methyl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)-phenyl-methyl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-[phenyl(p-tolyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(4-methylphenyl)-phenylmethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(4-methylphenyl)-phenylmethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-[phenyl(p-tolyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

InChI

InChI=1S/C28H27N3O2/c1-19-11-13-21(14-12-19)26(20-8-4-2-5-9-20)30-27(32)22-15-16-23-24(18-22)29-25-10-6-3-7-17-31(25)28(23)33/h2,4-5,8-9,11-16,18,26H,3,6-7,10,17H2,1H3,(H,30,32)