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

Systemtic Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-phenyl-urea Openeye Name: 1-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]-3-phenyl-urea CAS Name: 1-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]-3-phenylurea IUPAC Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-phenylurea Traditional Name: 1-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-3-phenyl-urea Formula: C25H40N4O3 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N4O3/c1-4-6-7-8-12-15-22(30)28-16-18-29(19-17-28)24(31)23(20(3)5-2)27-25(32)26-21-13-10-9-11-14-21/h9-11,13-14,20,23H,4-8,12,15-19H2,1-3H3,(H2,26,27,32)