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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-phenylpiperazino)methyl]phenyl]urea Formula: C26H30N4O MolecularWeight: 414.5426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4O/c1-20-8-11-24(18-21(20)2)28-26(31)27-23-12-9-22(10-13-23)19-29-14-16-30(17-15-29)25-6-4-3-5-7-25/h3-13,18H,14-17,19H2,1-2H3,(H2,27,28,31)