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

Systemtic Name: N-butyl-4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazine-1-carboxamide Formula: C28H33FN4O3 MolecularWeight: 492.585023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC(=CC=C3)OC)C4=CC=CC=C4F)C

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC(=CC=C3)OC)C4=CC=CC=C4F)C

InChI

InChI=1S/C28H33FN4O3/c1-4-5-13-30-28(35)32-16-14-31(15-17-32)27(34)23-19-26(21-9-8-10-22(18-21)36-3)33(20(23)2)25-12-7-6-11-24(25)29/h6-12,18-19H,4-5,13-17H2,1-3H3,(H,30,35)