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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caproylpiperazino)phenyl]-3-(3,4-dimethylphenyl)urea Formula: C25H34N4O2 MolecularWeight: 422.56306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H34N4O2/c1-4-5-6-7-24(30)29-16-14-28(15-17-29)23-12-10-21(11-13-23)26-25(31)27-22-9-8-19(2)20(3)18-22/h8-13,18H,4-7,14-17H2,1-3H3,(H2,26,27,31)