N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-morpholino-3-nitro-benzamide Formula: C24H19N7O4 MolecularWeight: 469.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H19N7O4/c25-14-18-15-26-30(22-8-6-16-3-1-2-4-19(16)27-22)23(18)28-24(32)17-5-7-20(21(13-17)31(33)34)29-9-11-35-12-10-29/h1-8,13,15H,9-12H2,(H,28,32)