N-[(3-bromophenyl)methyl]-3-[3-ethanoyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]propanamide

Systemtic Name: N-[(3-bromophenyl)methyl]-3-[3-ethanoyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]propanamide Openeye Name: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]-N-[(3-bromophenyl)methyl]propanamide CAS Name: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1-pyrrolyl]-N-[(3-bromophenyl)methyl]propanamide IUPAC Name: 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-[(3-bromophenyl)methyl]propanamide Traditional Name: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]-N-(3-bromobenzyl)propionamide Formula: C23H22BrFN2O2 MolecularWeight: 457.335383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC(=O)NCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)F)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1CCC(=O)NCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)F)C(=O)C

InChI

InChI=1S/C23H22BrFN2O2/c1-15-21(16(2)28)13-22(18-6-8-20(25)9-7-18)27(15)11-10-23(29)26-14-17-4-3-5-19(24)12-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,29)