7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-methylphenyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-2-(4-methylphenyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C22H26N4O2/c1-15-3-5-16(6-4-15)19-14-21(27)25-20-13-17(7-8-18(20)24-19)22(28)26-11-2-9-23-10-12-26/h3-8,13,19,23-24H,2,9-12,14H2,1H3,(H,25,27)