1-(phenylcarbonyl)-3-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(phenylcarbonyl)-3-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-benzoyl-3-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-benzoyl-3-(4-phenyl-1-piperazinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-benzoyl-3-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-benzoyl-3-(4-phenylpiperazino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C27H26N4O MolecularWeight: 422.52154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O/c28-19-24-22-13-7-8-14-23(22)25(26(32)20-9-3-1-4-10-20)29-27(24)31-17-15-30(16-18-31)21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-18H2