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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methoxyphenyl)urea Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-24-13-7-8-19(24)20(25-14-5-3-4-6-15-25)16-22-21(26)23-17-9-11-18(27-2)12-10-17/h7-13,20H,3-6,14-16H2,1-2H3,(H2,22,23,26)