ethyl 1-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]carbonyl-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]carbonyl-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-6-(2-thienyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-oxomethyl]-6-thiophen-2-yl-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-6-thiophen-2-ylpyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-6-(2-thienyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C32H38N4O3S MolecularWeight: 558.73412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C32H38N4O3S/c1-2-39-32(38)25-9-5-16-36(22-25)30-27(11-12-28(33-30)29-10-6-20-40-29)31(37)34-18-14-26(15-19-34)35-17-13-23-7-3-4-8-24(23)21-35/h3-4,6-8,10-12,20,25-26H,2,5,9,13-19,21-22H2,1H3