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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea Openeye Name: 1-(3,4-dichlorophenyl)-3-[2-methyl-1-(3-methyl-4-octanoyl-piperazine-1-carbonyl)butyl]urea CAS Name: 1-(3,4-dichlorophenyl)-3-[3-methyl-1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxopentan-2-yl]urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-[1-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-butyl]-3-(3,4-dichlorophenyl)urea Formula: C26H40Cl2N4O3 MolecularWeight: 527.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C26H40Cl2N4O3/c1-5-7-8-9-10-11-23(33)32-15-14-31(17-19(32)4)25(34)24(18(3)6-2)30-26(35)29-20-12-13-21(27)22(28)16-20/h12-13,16,18-19,24H,5-11,14-15,17H2,1-4H3,(H2,29,30,35)