1-[3-(5-chloranylthiophen-2-yl)-3-(2-methoxy-4-methyl-phenoxy)propyl]-4-(phenylmethyl)piperazine

Systemtic Name: 1-[3-(5-chloranylthiophen-2-yl)-3-(2-methoxy-4-methyl-phenoxy)propyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[3-(5-chloro-2-thienyl)-3-(2-methoxy-4-methyl-phenoxy)propyl]piperazine CAS Name: 1-[3-(5-chloro-2-thiophenyl)-3-(2-methoxy-4-methylphenoxy)propyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[3-(5-chlorothiophen-2-yl)-3-(2-methoxy-4-methylphenoxy)propyl]piperazine Traditional Name: 1-benzyl-4-[3-(5-chloro-2-thienyl)-3-(2-methoxy-4-methyl-phenoxy)propyl]piperazine Formula: C26H31ClN2O2S MolecularWeight: 471.05454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(S4)Cl)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(S4)Cl)OC

InChI

InChI=1S/C26H31ClN2O2S/c1-20-8-9-22(24(18-20)30-2)31-23(25-10-11-26(27)32-25)12-13-28-14-16-29(17-15-28)19-21-6-4-3-5-7-21/h3-11,18,23H,12-17,19H2,1-2H3