1-(2,6-dimethylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(2,6-dimethylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(2,6-dimethylphenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(2,6-dimethylphenyl)urea Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O2/c1-4-5-6-7-8-12-25(32)31-19-17-30(18-20-31)24-15-13-23(14-16-24)28-27(33)29-26-21(2)10-9-11-22(26)3/h9-11,13-16H,4-8,12,17-20H2,1-3H3,(H2,28,29,33)