1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(3,5-dimethoxyphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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