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

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonylpiperazin-1-yl]butan-1-one Openeye Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazino]butan-1-one Formula: C27H30ClN3O3 MolecularWeight: 479.9984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN3O3/c1-4-7-26(32)29-14-16-30(17-15-29)27(33)22-18-24(20-10-12-21(28)13-11-20)31(19(22)2)23-8-5-6-9-25(23)34-3/h5-6,8-13,18H,4,7,14-17H2,1-3H3