N,1-bis(3-methylphenyl)-7-oxidanylidene-3-piperazin-1-ylcarbonyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide

Systemtic Name: N,1-bis(3-methylphenyl)-7-oxidanylidene-3-piperazin-1-ylcarbonyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Openeye Name: N,1-bis(m-tolyl)-7-oxo-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide CAS Name: N,1-bis(3-methylphenyl)-7-oxo-3-[oxo(1-piperazinyl)methyl]-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide IUPAC Name: N,1-bis(3-methylphenyl)-7-oxo-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Traditional Name: 7-keto-N,1-bis(m-tolyl)-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C3C(C2C(=O)N4CCNCC4)CCCC3=O)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C3C(C2C(=O)N4CCNCC4)CCCC3=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C28H34N4O3/c1-18-6-3-8-20(16-18)25-24-22(10-5-11-23(24)33)26(27(34)31-14-12-29-13-15-31)32(25)28(35)30-21-9-4-7-19(2)17-21/h3-4,6-9,16-17,22,24-26,29H,5,10-15H2,1-2H3,(H,30,35)