ethyl 4-[2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[3-isoquinolinyl(oxo)methyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C29H33N5O4/c1-3-38-29(37)34-16-14-33(15-17-34)27(35)24-9-8-20(2)31-26(24)21-10-12-32(13-11-21)28(36)25-18-22-6-4-5-7-23(22)19-30-25/h4-9,18-19,21H,3,10-17H2,1-2H3