4-(4-chlorophenyl)-3-methyl-6-(4-phenylpiperazin-1-yl)-2-propan-2-yl-benzenecarbonitrile

Systemtic Name: 4-(4-chlorophenyl)-3-methyl-6-(4-phenylpiperazin-1-yl)-2-propan-2-yl-benzenecarbonitrile Openeye Name: 4-(4-chlorophenyl)-2-isopropyl-3-methyl-6-(4-phenylpiperazin-1-yl)benzonitrile CAS Name: 4-(4-chlorophenyl)-3-methyl-6-(4-phenyl-1-piperazinyl)-2-propan-2-ylbenzonitrile IUPAC Name: 4-(4-chlorophenyl)-3-methyl-6-(4-phenylpiperazin-1-yl)-2-propan-2-ylbenzonitrile Traditional Name: 4-(4-chlorophenyl)-2-isopropyl-3-methyl-6-(4-phenylpiperazino)benzonitrile Formula: C27H28ClN3 MolecularWeight: 429.98432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4)C#N)C(C)C

Isomeric SMILES

CC1=C(C(=C(C=C1C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4)C#N)C(C)C

InChI

InChI=1S/C27H28ClN3/c1-19(2)27-20(3)24(21-9-11-22(28)12-10-21)17-26(25(27)18-29)31-15-13-30(14-16-31)23-7-5-4-6-8-23/h4-12,17,19H,13-16H2,1-3H3