1-(4-tert-butylphenyl)-3-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)ethyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazino)ethyl]urea Formula: C26H39N5O MolecularWeight: 437.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCN(CC3)C

InChI

InChI=1S/C26H39N5O/c1-26(2,3)21-9-11-22(12-10-21)28-25(32)27-19-24(31-17-15-30(6)16-18-31)20-7-13-23(14-8-20)29(4)5/h7-14,24H,15-19H2,1-6H3,(H2,27,28,32)