N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]isoquinoline-3-carboxamide Openeye Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]isoquinoline-3-carboxamide CAS Name: N-[3-[4-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]isoquinoline-3-carboxamide Traditional Name: N-[3-[4-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]isoquinoline-3-carboxamide Formula: C33H36N4O MolecularWeight: 504.66514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=N3)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=N3)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H36N4O/c1-25-14-16-33(17-15-25,37-20-18-36(19-21-37)30-12-3-2-4-13-30)28-10-7-11-29(23-28)35-32(38)31-22-26-8-5-6-9-27(26)24-34-31/h2-13,22-25H,14-21H2,1H3,(H,35,38)