3-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[4-(2-chlorobenzoyl)piperazino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C27H25ClN4O MolecularWeight: 456.9666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClN4O/c28-24-13-7-6-12-22(24)27(33)32-16-14-31(15-17-32)26-23(18-29)20-10-4-5-11-21(20)25(30-26)19-8-2-1-3-9-19/h1-3,6-9,12-13H,4-5,10-11,14-17H2