2-[(4-methylphenyl)methyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: 2-[(4-methylphenyl)methyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: 3-oxo-2-(p-tolylmethyl)-N-(3-pyridylmethyl)isoindoline-1-carboxamide CAS Name: 2-[(4-methylphenyl)methyl]-3-oxo-N-(3-pyridinylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: 2-[(4-methylphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: 3-keto-2-(4-methylbenzyl)-N-(3-pyridylmethyl)isoindoline-1-carboxamide Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H21N3O2/c1-16-8-10-17(11-9-16)15-26-21(19-6-2-3-7-20(19)23(26)28)22(27)25-14-18-5-4-12-24-13-18/h2-13,21H,14-15H2,1H3,(H,25,27)