ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)pyrimidin-5-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)pyrimidin-5-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(m-tolyl)pyrimidine-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)-5-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenyl)pyrimidine-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(m-tolyl)pyrimidine-5-carbonyl]isonipecotic acid ethyl ester Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(N=C2N3CCC4=CC=CC=C4C3)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(N=C2N3CCC4=CC=CC=C4C3)C5=CC(=CC=C5)C

InChI

InChI=1S/C29H32N4O3/c1-3-36-29(35)22-12-14-32(15-13-22)28(34)25-18-30-26(23-10-6-7-20(2)17-23)31-27(25)33-16-11-21-8-4-5-9-24(21)19-33/h4-10,17-18,22H,3,11-16,19H2,1-2H3