4-butoxy-N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide

Systemtic Name: 4-butoxy-N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide Openeye Name: 4-butoxy-N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide CAS Name: 4-butoxy-N-butyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]benzamide IUPAC Name: 4-butoxy-N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide Traditional Name: 4-butoxy-N-butyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]benzamide Formula: C27H33FN2O2 MolecularWeight: 436.561523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C27H33FN2O2/c1-3-5-16-30(27(31)23-12-14-26(15-13-23)32-18-6-4-2)21-25-11-8-17-29(25)20-22-9-7-10-24(28)19-22/h7-15,17,19H,3-6,16,18,20-21H2,1-2H3