1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonylpiperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonylpiperazin-1-yl]octan-1-one Openeye Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazino]octan-1-one Formula: C31H38ClN3O3 MolecularWeight: 536.10472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C

InChI

InChI=1S/C31H38ClN3O3/c1-4-5-6-7-8-13-30(36)33-18-20-34(21-19-33)31(37)26-22-28(24-14-16-25(32)17-15-24)35(23(26)2)27-11-9-10-12-29(27)38-3/h9-12,14-17,22H,4-8,13,18-21H2,1-3H3