(3,5-dimethylpiperidin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: (3,5-dimethyl-1-piperidyl)-[1-[4-(2-pyridyl)piperazin-1-yl]-4-isoquinolyl]methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: (3,5-dimethylpiperidin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: (3,5-dimethylpiperidino)-[1-[4-(2-pyridyl)piperazino]-4-isoquinolyl]methanone Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C26H31N5O/c1-19-15-20(2)18-31(17-19)26(32)23-16-28-25(22-8-4-3-7-21(22)23)30-13-11-29(12-14-30)24-9-5-6-10-27-24/h3-10,16,19-20H,11-15,17-18H2,1-2H3