1-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-butan-2-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-butan-2-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-methyl-1-(3-methyl-4-octanoyl-piperazine-1-carbonyl)propyl]-3-(o-tolyl)urea CAS Name: 1-[3-methyl-1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxobutan-2-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[1-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-propyl]-3-(o-tolyl)urea Formula: C26H42N4O3 MolecularWeight: 458.63668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C26H42N4O3/c1-6-7-8-9-10-15-23(31)30-17-16-29(18-21(30)5)25(32)24(19(2)3)28-26(33)27-22-14-12-11-13-20(22)4/h11-14,19,21,24H,6-10,15-18H2,1-5H3,(H2,27,28,33)