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

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-1-(2-phenoxypropanoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-methylphenyl)-1-(1-oxo-2-phenoxypropyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-2-(4-methylphenyl)-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-1-(2-phenoxypropanoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C(C)OC4=CC=CC=C4)C=CC(=C3)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C(C)OC4=CC=CC=C4)C=CC(=C3)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H34N4O4/c1-21-9-11-23(12-10-21)28-20-29(36)33-26-19-24(31(38)34-17-6-15-32-16-18-34)13-14-27(26)35(28)30(37)22(2)39-25-7-4-3-5-8-25/h3-5,7-14,19,22,28,32H,6,15-18,20H2,1-2H3,(H,33,36)