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

Systemtic Name: 3-[4-(phenylcarbonyl)piperazin-1-yl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-isopropyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-isopropyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H28N4O/c1-17(2)22-20-11-7-6-10-19(20)21(16-25)23(26-22)27-12-14-28(15-13-27)24(29)18-8-4-3-5-9-18/h3-5,8-9,17H,6-7,10-15H2,1-2H3