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

Systemtic Name: 4-butoxy-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-butoxy-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-N-prop-2-enylbenzamide IUPAC Name: 4-butoxy-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-butoxy-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]benzamide Formula: C26H29FN2O2 MolecularWeight: 420.519063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC(=CC=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC(=CC=C3)F

InChI

InChI=1S/C26H29FN2O2/c1-3-5-17-31-25-13-11-22(12-14-25)26(30)29(15-4-2)20-24-10-7-16-28(24)19-21-8-6-9-23(27)18-21/h4,6-14,16,18H,2-3,5,15,17,19-20H2,1H3