1-(2,4-dichlorophenyl)-3-[1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]urea

Systemtic Name: 1-(2,4-dichlorophenyl)-3-[1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]urea Openeye Name: 1-[1-benzyl-2-(3-methyl-4-octanoyl-piperazin-1-yl)-2-oxo-ethyl]-3-(2,4-dichlorophenyl)urea CAS Name: 1-(2,4-dichlorophenyl)-3-[1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]urea IUPAC Name: 1-(2,4-dichlorophenyl)-3-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea Traditional Name: 1-[1-benzyl-2-(4-caprylyl-3-methyl-piperazino)-2-keto-ethyl]-3-(2,4-dichlorophenyl)urea Formula: C29H38Cl2N4O3 MolecularWeight: 561.54302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C29H38Cl2N4O3/c1-3-4-5-6-10-13-27(36)35-17-16-34(20-21(35)2)28(37)26(18-22-11-8-7-9-12-22)33-29(38)32-25-15-14-23(30)19-24(25)31/h7-9,11-12,14-15,19,21,26H,3-6,10,13,16-18,20H2,1-2H3,(H2,32,33,38)