7-[(2,5-dimethylphenyl)amino]-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Systemtic Name: 7-[(2,5-dimethylphenyl)amino]-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 6-benzyl-7-(2,5-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(2,5-dimethylanilino)-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 6-benzyl-7-(2,5-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 6-benzyl-7-(2,5-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O/c1-15-10-11-16(2)19(13-15)24-21-20-18(9-6-12-23-20)22(26)25(21)14-17-7-4-3-5-8-17/h3-13,21,24H,14H2,1-2H3