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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethyl-urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethyl-urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-phenethylurea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethylurea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethyl-urea Formula: C22H32N4O MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NCCC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NCCC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C22H32N4O/c1-25-15-9-12-20(25)21(26-16-7-2-3-8-17-26)18-24-22(27)23-14-13-19-10-5-4-6-11-19/h4-6,9-12,15,21H,2-3,7-8,13-14,16-18H2,1H3,(H2,23,24,27)