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

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-1-(3-methylphenyl)carbonyl-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-1-(3-methylbenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3-methylphenyl)-oxomethyl]-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-1-(3-methylbenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-1-m-toluoyl-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)N4CCCNCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)N4CCCNCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-20-7-5-10-22(17-20)29(36)33-25-12-11-23(28(35)32-15-6-13-30-14-16-32)18-24(25)31-27(34)19-26(33)21-8-3-2-4-9-21/h2-5,7-12,17-18,26,30H,6,13-16,19H2,1H3,(H,31,34)