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

Systemtic Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-isobutyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-isobutyl-3-(4-isobutyrylpiperazino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H32N4O MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-15(2)13-20-18-8-6-5-7-17(18)19(14-23)21(24-20)25-9-11-26(12-10-25)22(27)16(3)4/h15-16H,5-13H2,1-4H3