3-[4-(diphenylmethyl)piperazin-1-yl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-benzhydrylpiperazino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C28H30N4 MolecularWeight: 422.5646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H30N4/c1-21-24-14-8-9-15-25(24)26(20-29)28(30-21)32-18-16-31(17-19-32)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,27H,8-9,14-19H2,1H3