2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-phenyl-methyl]-1,2-dimethyl-piperazine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-phenyl-methyl]-1,2-dimethyl-piperazine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-phenyl-methyl]-1,2-dimethyl-piperazine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-phenylmethyl]-1,2-dimethylpiperazine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-phenylmethyl]-1,2-dimethylpiperazine Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1,2-dimethyl-2-piperonyl-piperazine Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1(CN(CCN1C)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29ClN2O2/c1-27(17-20-8-13-24-25(16-20)32-19-31-24)18-30(15-14-29(27)2)26(21-6-4-3-5-7-21)22-9-11-23(28)12-10-22/h3-13,16,26H,14-15,17-19H2,1-2H3