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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-methylpiperazino)methyl]phenyl]urea Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C)C

InChI

InChI=1S/C21H28N4O/c1-16-4-7-20(14-17(16)2)23-21(26)22-19-8-5-18(6-9-19)15-25-12-10-24(3)11-13-25/h4-9,14H,10-13,15H2,1-3H3,(H2,22,23,26)