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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(diphenylmethyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-benzhydryl-urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(diphenylmethyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-benzhydrylurea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-benzhydryl-urea Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C27H34N4O/c1-30-18-12-17-24(30)25(31-19-10-2-3-11-20-31)21-28-27(32)29-26(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-9,12-18,25-26H,2-3,10-11,19-21H2,1H3,(H2,28,29,32)