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

Systemtic Name: 4-butoxy-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-benzamide Openeye Name: 4-butoxy-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-benzamide CAS Name: 4-butoxy-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-N-pentylbenzamide IUPAC Name: 4-butoxy-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide Traditional Name: N-amyl-4-butoxy-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]benzamide Formula: C28H35FN2O2 MolecularWeight: 450.588103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35FN2O2/c1-3-5-7-17-31(28(32)24-13-15-27(16-14-24)33-19-6-4-2)22-26-12-9-18-30(26)21-23-10-8-11-25(29)20-23/h8-16,18,20H,3-7,17,19,21-22H2,1-2H3