11-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

Systemtic Name: 11-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: 11-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: 11-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: 11-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: 11-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-7,8,9,10-tetrahydrobenzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C33H30ClN5 MolecularWeight: 532.0778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl

Isomeric SMILES

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C33H30ClN5/c34-25-16-14-24(15-17-25)31(23-8-2-1-3-9-23)37-18-20-38(21-19-37)33-27-11-5-4-10-26(27)28(22-35)32-36-29-12-6-7-13-30(29)39(32)33/h1-3,6-9,12-17,31H,4-5,10-11,18-21H2