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

Systemtic Name: 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-[1-(phenylmethyl)pyrrolidin-3-yl]isoindole-5-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-1,3-dioxo-N-[1-(phenylmethyl)-3-pyrrolidinyl]-5-isoindolecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1,3-diketo-2-(o-tolyl)isoindoline-5-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4CCN(C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4CCN(C4)CC5=CC=CC=C5

InChI

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