[4-(phenylmethyl)piperidin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperidin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[1-[4-(2-pyridyl)piperazin-1-yl]-4-isoquinolyl]methanone CAS Name: [4-(phenylmethyl)-1-piperidinyl]-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: (4-benzylpiperidino)-[1-[4-(2-pyridyl)piperazino]-4-isoquinolyl]methanone Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C31H33N5O/c37-31(36-16-13-25(14-17-36)22-24-8-2-1-3-9-24)28-23-33-30(27-11-5-4-10-26(27)28)35-20-18-34(19-21-35)29-12-6-7-15-32-29/h1-12,15,23,25H,13-14,16-22H2