1-[1-(3-bromophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-[1-(3-bromophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[1-(3-bromophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-[1-(3-bromophenyl)ethyl]-3-[4-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-[1-(3-bromophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[1-(3-bromophenyl)ethyl]-3-[4-(4-methylpiperazino)phenyl]urea Formula: C20H25BrN4O MolecularWeight: 417.3427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H25BrN4O/c1-15(16-4-3-5-17(21)14-16)22-20(26)23-18-6-8-19(9-7-18)25-12-10-24(2)11-13-25/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,26)