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

Systemtic Name: N-methyl-N-(4-propan-2-ylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-isopropylphenyl)-N-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-methyl-N-(4-propan-2-ylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-methyl-N-(4-propan-2-ylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-methyl-N-p-cumenyl-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C28H30N6O MolecularWeight: 466.5774

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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=NC=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=NC=CC=N5

InChI

InChI=1S/C28H30N6O/c1-20(2)21-9-11-22(12-10-21)32(3)27(35)25-19-31-26(24-8-5-4-7-23(24)25)33-15-17-34(18-16-33)28-29-13-6-14-30-28/h4-14,19-20H,15-18H2,1-3H3