1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(2,4-dimethoxyphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)urea Formula: C22H32N4O3 MolecularWeight: 400.51448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NC2=C(C=C(C=C2)OC)OC)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NC2=C(C=C(C=C2)OC)OC)N3CCCCCC3

InChI

InChI=1S/C22H32N4O3/c1-25-12-8-9-19(25)20(26-13-6-4-5-7-14-26)16-23-22(27)24-18-11-10-17(28-2)15-21(18)29-3/h8-12,15,20H,4-7,13-14,16H2,1-3H3,(H2,23,24,27)