[4-(1-isoquinolin-1-ylcarbonylpiperidin-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-(1-isoquinolin-1-ylcarbonylpiperidin-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-[1-(isoquinoline-1-carbonyl)-4-piperidyl]-1-piperidyl]-(p-tolyl)methanone CAS Name: [4-[1-[1-isoquinolinyl(oxo)methyl]-4-piperidinyl]-1-piperidinyl]-(4-methylphenyl)methanone IUPAC Name: [4-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]piperidin-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-[1-(isoquinoline-1-carbonyl)-4-piperidyl]piperidino]-(p-tolyl)methanone Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N3O2/c1-20-6-8-24(9-7-20)27(32)30-16-11-21(12-17-30)22-13-18-31(19-14-22)28(33)26-25-5-3-2-4-23(25)10-15-29-26/h2-10,15,21-22H,11-14,16-19H2,1H3