3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-3-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-3-(4-phenylpiperazino)propan-1-one Formula: C27H29ClN2O MolecularWeight: 432.98496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H29ClN2O/c1-20-8-9-23(18-21(20)2)27(31)19-26(22-10-12-24(28)13-11-22)30-16-14-29(15-17-30)25-6-4-3-5-7-25/h3-13,18,26H,14-17,19H2,1-2H3