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

Systemtic Name: 1-(3-cyanophenyl)-3-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-butan-2-yl]urea Openeye Name: 1-(3-cyanophenyl)-3-[2-methyl-1-(3-methyl-4-octanoyl-piperazine-1-carbonyl)propyl]urea CAS Name: 1-(3-cyanophenyl)-3-[3-methyl-1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxobutan-2-yl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]urea Traditional Name: 1-[1-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-propyl]-3-(3-cyanophenyl)urea Formula: C26H39N5O3 MolecularWeight: 469.61956

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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(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H39N5O3/c1-5-6-7-8-9-13-23(32)31-15-14-30(18-20(31)4)25(33)24(19(2)3)29-26(34)28-22-12-10-11-21(16-22)17-27/h10-12,16,19-20,24H,5-9,13-15,18H2,1-4H3,(H2,28,29,34)