N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-butyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3,5-dimethoxy-benzamide Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O3/c1-4-5-11-28(25(29)20-14-23(30-2)16-24(15-20)31-3)18-22-10-7-12-27(22)17-19-8-6-9-21(26)13-19/h6-10,12-16H,4-5,11,17-18H2,1-3H3