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

Systemtic Name: 7-[(4-bromanyl-3-methyl-phenyl)amino]-6-cyclohexyl-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 7-(4-bromo-3-methyl-anilino)-6-cyclohexyl-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(4-bromo-3-methylanilino)-6-cyclohexyl-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 7-(4-bromo-3-methylanilino)-6-cyclohexyl-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 7-(4-bromo-3-methyl-anilino)-6-cyclohexyl-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C20H22BrN3O MolecularWeight: 400.31218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2C3=C(C=CC=N3)C(=O)N2C4CCCCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2C3=C(C=CC=N3)C(=O)N2C4CCCCC4)Br

InChI

InChI=1S/C20H22BrN3O/c1-13-12-14(9-10-17(13)21)23-19-18-16(8-5-11-22-18)20(25)24(19)15-6-3-2-4-7-15/h5,8-12,15,19,23H,2-4,6-7H2,1H3