4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-6-cyclopropyl-benzonitrile CAS Name: 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(phenylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-6-cyclopropylbenzonitrile Traditional Name: 2-(4-benzylpiperazino)-4-(4-chlorophenyl)-6-cyclopropyl-benzonitrile Formula: C27H26ClN3 MolecularWeight: 427.96844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=CC(=C2)C3=CC=C(C=C3)Cl)N4CCN(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CC1C2=C(C(=CC(=C2)C3=CC=C(C=C3)Cl)N4CCN(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H26ClN3/c28-24-10-8-21(9-11-24)23-16-25(22-6-7-22)26(18-29)27(17-23)31-14-12-30(13-15-31)19-20-4-2-1-3-5-20/h1-5,8-11,16-17,22H,6-7,12-15,19H2