1-(2-methylpropyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(2-methylpropyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H30N4O/c1-18(2)16-23-21-11-7-6-10-20(21)22(17-26)24(27-23)28-12-14-29(15-13-28)25(30)19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-16H2,1-2H3