1-(3,4-dimethylphenyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]urea Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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