1-(2,3-dimethylphenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(2,3-dimethylphenyl)urea Formula: C27H44N4O3 MolecularWeight: 472.66326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C27H44N4O3/c1-6-8-9-10-11-15-24(32)30-16-18-31(19-17-30)26(33)25(20(3)7-2)29-27(34)28-23-14-12-13-21(4)22(23)5/h12-14,20,25H,6-11,15-19H2,1-5H3,(H2,28,29,34)