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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(3,4-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=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C27H38N4O2/c1-4-5-6-7-8-9-26(32)31-18-16-30(17-19-31)25-14-12-23(13-15-25)28-27(33)29-24-11-10-21(2)22(3)20-24/h10-15,20H,4-9,16-19H2,1-3H3,(H2,28,29,33)