methyl 2-[2-[(2,3-dimethylphenyl)amino]pyridin-3-yl]carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[2-[(2,3-dimethylphenyl)amino]pyridin-3-yl]carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-(2,3-dimethylanilino)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[[2-(2,3-dimethylanilino)-3-pyridinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dimethylanilino)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[2-(2,3-dimethylanilino)nicotinoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)N3CCC4=C(C=CC=C4C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)N3CCC4=C(C=CC=C4C3)C(=O)OC)C

InChI

InChI=1S/C25H25N3O3/c1-16-7-4-11-22(17(16)2)27-23-21(10-6-13-26-23)24(29)28-14-12-19-18(15-28)8-5-9-20(19)25(30)31-3/h4-11,13H,12,14-15H2,1-3H3,(H,26,27)