N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-anilino-3-nitro-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-anilino-3-nitrobenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-anilino-3-nitrobenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-anilino-3-nitro-benzamide Formula: C26H23N7O3 MolecularWeight: 481.50592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N7O3/c27-17-21-22(31-32(25(21)28)20-10-5-2-6-11-20)12-7-15-29-26(34)18-13-14-23(24(16-18)33(35)36)30-19-8-3-1-4-9-19/h1-6,8-11,13-14,16,30H,7,12,15,28H2,(H,29,34)