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

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]urea Openeye Name: 1-(2,6-dimethylphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(2,6-dimethylphenyl)-3-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(2,6-dimethylphenyl)-3-[4-(4-o-toluoylpiperazino)phenyl]urea Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H30N4O2/c1-19-7-4-5-10-24(19)26(32)31-17-15-30(16-18-31)23-13-11-22(12-14-23)28-27(33)29-25-20(2)8-6-9-21(25)3/h4-14H,15-18H2,1-3H3,(H2,28,29,33)