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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(phenylmethyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-benzyl-urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-benzylurea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-benzyl-urea Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NCC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NCC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C21H30N4O/c1-24-13-9-12-19(24)20(25-14-7-2-3-8-15-25)17-23-21(26)22-16-18-10-5-4-6-11-18/h4-6,9-13,20H,2-3,7-8,14-17H2,1H3,(H2,22,23,26)