2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide

Systemtic Name: 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide Openeye Name: 2-(o-tolyl)-1,3-dioxo-N-[4-(1-piperidyl)phenyl]isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-1,3-dioxo-N-[4-(1-piperidinyl)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-(2-methylphenyl)-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(o-tolyl)-N-(4-piperidinophenyl)isoindoline-5-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C27H25N3O3/c1-18-7-3-4-8-24(18)30-26(32)22-14-9-19(17-23(22)27(30)33)25(31)28-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,31)