1-(2,6-dimethylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(2,6-dimethylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(2,6-dimethylphenyl)-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caproylpiperazino)phenyl]-3-(2,6-dimethylphenyl)urea Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H34N4O2/c1-4-5-6-10-23(30)29-17-15-28(16-18-29)22-13-11-21(12-14-22)26-25(31)27-24-19(2)8-7-9-20(24)3/h7-9,11-14H,4-6,10,15-18H2,1-3H3,(H2,26,27,31)