N-(3-chloranyl-4-fluoranyl-phenyl)-4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazine-1-carboxamide Formula: C31H30ClFN4O4 MolecularWeight: 577.045703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CC1=C(C=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C31H30ClFN4O4/c1-20-24(30(38)35-13-15-36(16-14-35)31(39)34-22-9-11-26(33)25(32)17-22)19-27(21-7-5-4-6-8-21)37(20)23-10-12-28(40-2)29(18-23)41-3/h4-12,17-19H,13-16H2,1-3H3,(H,34,39)