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

Systemtic Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-butyl-N-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-3,5-dimethoxy-benzamide Formula: C25H29ClN2O3 MolecularWeight: 440.96236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C25H29ClN2O3/c1-4-5-12-28(25(29)20-14-22(30-2)16-23(15-20)31-3)18-21-10-8-13-27(21)17-19-9-6-7-11-24(19)26/h6-11,13-16H,4-5,12,17-18H2,1-3H3