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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[1-[3-isoquinolinyl(oxo)methyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-nicotinamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H30N6O2/c1-20-7-8-24(27(35)30-11-4-13-33-16-12-29-19-33)26(32-20)21-9-14-34(15-10-21)28(36)25-17-22-5-2-3-6-23(22)18-31-25/h2-3,5-8,12,16-19,21H,4,9-11,13-15H2,1H3,(H,30,35)