N-(4-imidazol-1-ylphenyl)-2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-(4-imidazol-1-ylphenyl)-2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide Openeye Name: N-(4-imidazol-1-ylphenyl)-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-2-[1-[3-isoquinolinyl(oxo)methyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-(4-imidazol-1-ylphenyl)-2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-(4-imidazol-1-ylphenyl)-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-nicotinamide Formula: C31H28N6O2 MolecularWeight: 516.59302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C31H28N6O2/c1-21-6-11-27(30(38)35-25-7-9-26(10-8-25)37-17-14-32-20-37)29(34-21)22-12-15-36(16-13-22)31(39)28-18-23-4-2-3-5-24(23)19-33-28/h2-11,14,17-20,22H,12-13,15-16H2,1H3,(H,35,38)