1-cyclohexyl-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]urea Openeye Name: 1-cyclohexyl-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]urea CAS Name: 1-cyclohexyl-3-[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]urea IUPAC Name: 1-cyclohexyl-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]urea Traditional Name: 1-cyclohexyl-3-[4-keto-4-[4-(4-nitrophenyl)piperazino]butyl]urea Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O4/c27-20(7-4-12-22-21(28)23-17-5-2-1-3-6-17)25-15-13-24(14-16-25)18-8-10-19(11-9-18)26(29)30/h8-11,17H,1-7,12-16H2,(H2,22,23,28)