1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)(C4)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)(C4)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O4/c1-18-24(25(34)32(31(18)2)22-6-4-3-5-7-22)29-26(35)30-28-15-19-12-20(16-28)14-27(13-19,17-28)21-8-10-23(11-9-21)33(36)37/h3-11,19-20H,12-17H2,1-2H3,(H2,29,30,35)