N-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]piperazine-1-carboxamide Formula: C27H30ClFN4O2 MolecularWeight: 497.004103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C27H30ClFN4O2/c1-3-4-12-30-27(35)32-15-13-31(14-16-32)26(34)24-18-25(20-8-10-21(28)11-9-20)33(19(24)2)23-7-5-6-22(29)17-23/h5-11,17-18H,3-4,12-16H2,1-2H3,(H,30,35)