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

Systemtic Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide Openeye Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide CAS Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-2-naphthalenecarboxamide IUPAC Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide Traditional Name: N-butyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

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