1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-yl-urea

Systemtic Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-yl-urea Openeye Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(1-naphthyl)urea CAS Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3-(1-naphthalenyl)urea IUPAC Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-ylurea Traditional Name: 1-butyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-(1-naphthyl)urea Formula: C27H28FN3O MolecularWeight: 429.529123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H28FN3O/c1-2-3-16-31(27(32)29-26-15-7-11-22-10-4-5-14-25(22)26)20-24-13-8-17-30(24)19-21-9-6-12-23(28)18-21/h4-15,17-18H,2-3,16,19-20H2,1H3,(H,29,32)