1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-ethylphenyl)urea

Systemtic Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-ethylphenyl)urea Openeye Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-ethylphenyl)urea CAS Name: 1-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-(3-ethylphenyl)urea IUPAC Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-ethylphenyl)urea Traditional Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-3-(3-ethylphenyl)urea Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C

InChI

InChI=1S/C25H34N4O2/c1-5-19-7-6-8-21(17-19)27-24(31)26-20-9-11-22(12-10-20)28-13-15-29(16-14-28)23(30)18-25(2,3)4/h6-12,17H,5,13-16,18H2,1-4H3,(H2,26,27,31)