4-methyl-1-phenyl-5-[1-(4-phenylpiperazin-1-yl)cyclohexyl]isoquinoline-3-carboxamide

Systemtic Name: 4-methyl-1-phenyl-5-[1-(4-phenylpiperazin-1-yl)cyclohexyl]isoquinoline-3-carboxamide Openeye Name: 4-methyl-1-phenyl-5-[1-(4-phenylpiperazin-1-yl)cyclohexyl]isoquinoline-3-carboxamide CAS Name: 4-methyl-1-phenyl-5-[1-(4-phenyl-1-piperazinyl)cyclohexyl]-3-isoquinolinecarboxamide IUPAC Name: 4-methyl-1-phenyl-5-[1-(4-phenylpiperazin-1-yl)cyclohexyl]isoquinoline-3-carboxamide Traditional Name: 4-methyl-1-phenyl-5-[1-(4-phenylpiperazino)cyclohexyl]isoquinoline-3-carboxamide Formula: C33H36N4O MolecularWeight: 504.66514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=C1C(=CC=C2)C3(CCCCC3)N4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

CC1=C(N=C(C2=C1C(=CC=C2)C3(CCCCC3)N4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

InChI

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