N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide CAS Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-butyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-1-naphthamide Formula: C27H27FN2O MolecularWeight: 414.514483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27FN2O/c1-2-3-16-30(27(31)26-15-7-11-22-10-4-5-14-25(22)26)20-24-13-8-17-29(24)19-21-9-6-12-23(28)18-21/h4-15,17-18H,2-3,16,19-20H2,1H3