1-(1,3-benzodioxol-5-ylcarbonyl)-N-methyl-N-[2-(methylamino)ethyl]-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonyl)-N-methyl-N-[2-(methylamino)ethyl]-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: 1-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-[2-(methylamino)ethyl]-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-N-methyl-N-[2-(methylamino)ethyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: 1-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-[2-(methylamino)ethyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: 4-keto-N-methyl-N-[2-(methylamino)ethyl]-1-piperonyloyl-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H30N4O5 MolecularWeight: 514.5723

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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)N(C)CCNC

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O5/c1-18-4-6-19(7-5-18)24-16-27(34)31-22-14-20(28(35)32(3)13-12-30-2)8-10-23(22)33(24)29(36)21-9-11-25-26(15-21)38-17-37-25/h4-11,14-15,24,30H,12-13,16-17H2,1-3H3,(H,31,34)