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

Systemtic Name: 1-(4-butoxyphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea CAS Name: 1-(4-butoxyphenyl)-3-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[4-[(4-methylpiperazino)methyl]phenyl]urea Formula: C23H32N4O2 MolecularWeight: 396.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C

InChI

InChI=1S/C23H32N4O2/c1-3-4-17-29-22-11-9-21(10-12-22)25-23(28)24-20-7-5-19(6-8-20)18-27-15-13-26(2)14-16-27/h5-12H,3-4,13-18H2,1-2H3,(H2,24,25,28)