1-[1-(3-bromophenyl)-3-oxidanylidene-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-[1-(3-bromophenyl)-3-oxidanylidene-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]urea Openeye Name: [1-(3-bromophenyl)-3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]urea CAS Name: [1-(3-bromophenyl)-3-oxo-3-[4-(2-phenoxyethyl)-1-piperazinyl]propyl]urea IUPAC Name: [1-(3-bromophenyl)-3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]urea Traditional Name: [1-(3-bromophenyl)-3-keto-3-[4-(2-phenoxyethyl)piperazino]propyl]urea Formula: C22H27BrN4O3 MolecularWeight: 475.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CC(C3=CC(=CC=C3)Br)NC(=O)N

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CC(C3=CC(=CC=C3)Br)NC(=O)N

InChI

InChI=1S/C22H27BrN4O3/c23-18-6-4-5-17(15-18)20(25-22(24)29)16-21(28)27-11-9-26(10-12-27)13-14-30-19-7-2-1-3-8-19/h1-8,15,20H,9-14,16H2,(H3,24,25,29)