7-[(4-bromanyl-3-methyl-phenyl)amino]-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Systemtic Name: 7-[(4-bromanyl-3-methyl-phenyl)amino]-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 6-benzyl-7-(4-bromo-3-methyl-anilino)-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(4-bromo-3-methylanilino)-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 6-benzyl-7-(4-bromo-3-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 6-benzyl-7-(4-bromo-3-methyl-anilino)-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O/c1-14-12-16(9-10-18(14)22)24-20-19-17(8-5-11-23-19)21(26)25(20)13-15-6-3-2-4-7-15/h2-12,20,24H,13H2,1H3