1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-fluorophenyl)urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-fluorophenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-fluorophenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(2-fluorophenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-fluorophenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-fluorophenyl)urea Formula: C20H27FN4O MolecularWeight: 358.452983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NC2=CC=CC=C2F)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NC2=CC=CC=C2F)N3CCCCCC3

InChI

InChI=1S/C20H27FN4O/c1-24-12-8-11-18(24)19(25-13-6-2-3-7-14-25)15-22-20(26)23-17-10-5-4-9-16(17)21/h4-5,8-12,19H,2-3,6-7,13-15H2,1H3,(H2,22,23,26)