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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(1,3-benzodioxol-5-yl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)urea Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NC2=CC3=C(C=C2)OCO3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NC2=CC3=C(C=C2)OCO3)N4CCCCCC4

InChI

InChI=1S/C21H28N4O3/c1-24-10-6-7-17(24)18(25-11-4-2-3-5-12-25)14-22-21(26)23-16-8-9-19-20(13-16)28-15-27-19/h6-10,13,18H,2-5,11-12,14-15H2,1H3,(H2,22,23,26)