2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]isoindole-5-carboxamide

Systemtic Name: 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]isoindole-5-carboxamide Openeye Name: 2-(o-tolyl)-1,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-1,3-dioxo-N-[3-(1-pyrrolidinylmethyl)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-(2-methylphenyl)-1,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(o-tolyl)-N-[3-(pyrrolidinomethyl)phenyl]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=CC(=C4)CN5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)CN5CCCC5

InChI

InChI=1S/C27H25N3O3/c1-18-7-2-3-10-24(18)30-26(32)22-12-11-20(16-23(22)27(30)33)25(31)28-21-9-6-8-19(15-21)17-29-13-4-5-14-29/h2-3,6-12,15-16H,4-5,13-14,17H2,1H3,(H,28,31)