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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonyl)-2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(1,3-benzodioxole-5-carbonyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(1,3-benzodioxole-5-carbonyl)-2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(piperazine-1-carbonyl)-1-piperonyloyl-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=C(C=C4)OCO5)C=CC(=C3)C(=O)N6CCNCC6

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=C(C=C4)OCO5)C=CC(=C3)C(=O)N6CCNCC6

InChI

InChI=1S/C29H28N4O5/c1-18-2-4-19(5-3-18)24-16-27(34)31-22-14-20(28(35)32-12-10-30-11-13-32)6-8-23(22)33(24)29(36)21-7-9-25-26(15-21)38-17-37-25/h2-9,14-15,24,30H,10-13,16-17H2,1H3,(H,31,34)