N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]-4-morpholino-3-nitro-benzamide Formula: C29H28N6O6 MolecularWeight: 556.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N6O6/c1-19-26(29(38)34(32(19)2)23-9-4-3-5-10-23)31-28(37)20-7-6-8-22(17-20)30-27(36)21-11-12-24(25(18-21)35(39)40)33-13-15-41-16-14-33/h3-12,17-18H,13-16H2,1-2H3,(H,30,36)(H,31,37)