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

Systemtic Name: N-cyclohexyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-cyclohexyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-cyclohexyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-cyclohexyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-cyclohexyl-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H28N6O/c31-23(28-18-7-2-1-3-8-18)21-17-27-22(20-10-5-4-9-19(20)21)29-13-15-30(16-14-29)24-25-11-6-12-26-24/h4-6,9-12,17-18H,1-3,7-8,13-16H2,(H,28,31)