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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyclohexyl-urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyclohexyl-urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-cyclohexylurea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyclohexylurea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyclohexyl-urea Formula: C20H34N4O MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NC2CCCCC2)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NC2CCCCC2)N3CCCCCC3

InChI

InChI=1S/C20H34N4O/c1-23-13-9-12-18(23)19(24-14-7-2-3-8-15-24)16-21-20(25)22-17-10-5-4-6-11-17/h9,12-13,17,19H,2-8,10-11,14-16H2,1H3,(H2,21,22,25)