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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=C(C=C2)CC

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=C(C=C2)CC

InChI

InChI=1S/C27H44N4O3/c1-5-8-9-10-11-12-24(32)30-17-19-31(20-18-30)26(33)25(21(4)6-2)29-27(34)28-23-15-13-22(7-3)14-16-23/h13-16,21,25H,5-12,17-20H2,1-4H3,(H2,28,29,34)