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

Systemtic Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(4-nitrophenyl)urea CAS Name: 1-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-3-(4-nitrophenyl)urea Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-23(2,3)16-21(29)27-14-12-26(13-15-27)19-8-4-17(5-9-19)24-22(30)25-18-6-10-20(11-7-18)28(31)32/h4-11H,12-16H2,1-3H3,(H2,24,25,30)