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

Systemtic Name: 1-(3-methylphenyl)-3-[1-(4-methylpiperazin-1-yl)-1-phenyl-propan-2-yl]urea Openeye Name: 1-[1-methyl-2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[1-(4-methyl-1-piperazinyl)-1-phenylpropan-2-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]urea Traditional Name: 1-[1-methyl-2-(4-methylpiperazino)-2-phenyl-ethyl]-3-(m-tolyl)urea Formula: C22H30N4O MolecularWeight: 366.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-17-8-7-11-20(16-17)24-22(27)23-18(2)21(19-9-5-4-6-10-19)26-14-12-25(3)13-15-26/h4-11,16,18,21H,12-15H2,1-3H3,(H2,23,24,27)