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

Systemtic Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]-3-(m-tolyl)urea CAS Name: 1-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(m-tolyl)urea Formula: C26H42N4O3 MolecularWeight: 458.63668

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H42N4O3/c1-5-7-8-9-10-14-23(31)29-15-17-30(18-16-29)25(32)24(21(4)6-2)28-26(33)27-22-13-11-12-20(3)19-22/h11-13,19,21,24H,5-10,14-18H2,1-4H3,(H2,27,28,33)