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

Systemtic Name: 1-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-butan-2-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-methyl-1-(3-methyl-4-octanoyl-piperazine-1-carbonyl)propyl]urea CAS Name: 1-[3-methyl-1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxobutan-2-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]urea Traditional Name: 1-benzyl-3-[1-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-propyl]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)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)C)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C26H42N4O3/c1-5-6-7-8-12-15-23(31)30-17-16-29(19-21(30)4)25(32)24(20(2)3)28-26(33)27-18-22-13-10-9-11-14-22/h9-11,13-14,20-21,24H,5-8,12,15-19H2,1-4H3,(H2,27,28,33)