N-[(2-ethoxyphenyl)methyl]-2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[3-isoquinolinyl(oxo)methyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-nicotinamide Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C31H32N4O3/c1-3-38-28-11-7-6-10-25(28)20-33-30(36)26-13-12-21(2)34-29(26)22-14-16-35(17-15-22)31(37)27-18-23-8-4-5-9-24(23)19-32-27/h4-13,18-19,22H,3,14-17,20H2,1-2H3,(H,33,36)