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

Systemtic Name: N-(4-propan-2-ylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-isopropylphenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(4-propan-2-ylphenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-propan-2-ylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-p-cumenyl-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O/c1-20(2)21-10-12-22(13-11-21)31-28(34)25-19-30-27(24-8-4-3-7-23(24)25)33-17-15-32(16-18-33)26-9-5-6-14-29-26/h3-14,19-20H,15-18H2,1-2H3,(H,31,34)