N-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: 4-morpholino-3-nitro-N-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]benzamide CAS Name: N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-nitro-N-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]benzamide Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O4/c1-19-7-9-20(10-8-19)26-23(18-31(29-26)22-5-3-2-4-6-22)28-27(33)21-11-12-24(25(17-21)32(34)35)30-13-15-36-16-14-30/h2-12,17-18H,13-16H2,1H3,(H,28,33)