[4-[(3S)-4-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-3-methyl-piperazin-1-yl]piperidin-1-yl]-(2,6-dimethylphenyl)methanone

Systemtic Name: [4-[(3S)-4-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-3-methyl-piperazin-1-yl]piperidin-1-yl]-(2,6-dimethylphenyl)methanone Openeye Name: [4-[(3S)-4-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-3-methyl-piperazin-1-yl]-1-piperidyl]-(2,6-dimethylphenyl)methanone CAS Name: [4-[(3S)-4-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-3-methyl-1-piperazinyl]-1-piperidinyl]-(2,6-dimethylphenyl)methanone IUPAC Name: [4-[(3S)-4-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(2,6-dimethylphenyl)methanone Traditional Name: [4-[(3S)-4-[(1S)-1-[4-(3-chlorobenzyl)phenyl]ethyl]-3-methyl-piperazino]piperidino]-(2,6-dimethylphenyl)methanone Formula: C34H42ClN3O MolecularWeight: 544.16978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)C2=CC=C(C=C2)CC3=CC(=CC=C3)Cl)C4CCN(CC4)C(=O)C5=C(C=CC=C5C)C

Isomeric SMILES

C[C@H]1CN(CCN1[C@@H](C)C2=CC=C(C=C2)CC3=CC(=CC=C3)Cl)C4CCN(CC4)C(=O)C5=C(C=CC=C5C)C

InChI

InChI=1S/C34H42ClN3O/c1-24-7-5-8-25(2)33(24)34(39)36-17-15-32(16-18-36)37-19-20-38(26(3)23-37)27(4)30-13-11-28(12-14-30)21-29-9-6-10-31(35)22-29/h5-14,22,26-27,32H,15-21,23H2,1-4H3/t26-,27-/m0/s1