N-cyclohexyl-N-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-cyclohexyl-N-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-cyclohexyl-N-methyl-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-cyclohexyl-N-methyl-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-cyclohexyl-N-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-cyclohexyl-N-methyl-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H31N5O/c1-29(20-9-3-2-4-10-20)26(32)23-19-28-25(22-12-6-5-11-21(22)23)31-17-15-30(16-18-31)24-13-7-8-14-27-24/h5-8,11-14,19-20H,2-4,9-10,15-18H2,1H3