1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one

Systemtic Name: 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one Openeye Name: 2-phenyl-1-(p-tolyl)-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one CAS Name: 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one IUPAC Name: 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one Traditional Name: 2-phenyl-1-(p-tolyl)-5,6,7,8-tetrahydropyrrol[3,2-c]azepin-4-one Formula: C21H20N2O MolecularWeight: 316.3963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=C2C4=CC=CC=C4)C(=O)NCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=C2C4=CC=CC=C4)C(=O)NCCC3

InChI

InChI=1S/C21H20N2O/c1-15-9-11-17(12-10-15)23-19-8-5-13-22-21(24)18(19)14-20(23)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,24)