1-(2-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(o-tolyl)urea Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C26H36N4O2/c1-3-4-5-6-7-12-25(31)30-19-17-29(18-20-30)23-15-13-22(14-16-23)27-26(32)28-24-11-9-8-10-21(24)2/h8-11,13-16H,3-7,12,17-20H2,1-2H3,(H2,27,28,32)