7-(1,4-diazepan-1-ylcarbonyl)-1-(4-dimethylaminophenyl)carbonyl-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-1-(4-dimethylaminophenyl)carbonyl-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-1-[4-(dimethylamino)benzoyl]-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-dimethylaminophenyl)-oxomethyl]-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-1-[4-(dimethylamino)benzoyl]-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-1-[4-(dimethylamino)benzoyl]-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C31H35N5O3 MolecularWeight: 525.6413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)N(C)C)C=CC(=C3)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)N(C)C)C=CC(=C3)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H35N5O3/c1-21-5-7-22(8-6-21)28-20-29(37)33-26-19-24(30(38)35-17-4-15-32-16-18-35)11-14-27(26)36(28)31(39)23-9-12-25(13-10-23)34(2)3/h5-14,19,28,32H,4,15-18,20H2,1-3H3,(H,33,37)