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

Systemtic Name: N-methyl-N-(4-propan-2-ylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-isopropylphenyl)-N-methyl-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-methyl-N-(4-propan-2-ylphenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-methyl-N-(4-propan-2-ylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-methyl-N-p-cumenyl-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O/c1-21(2)22-11-13-23(14-12-22)32(3)29(35)26-20-31-28(25-9-5-4-8-24(25)26)34-18-16-33(17-19-34)27-10-6-7-15-30-27/h4-15,20-21H,16-19H2,1-3H3