5-azanyl-3-[3-[(4-cyano-2-nitro-phenyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(4-cyano-2-nitro-phenyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-(4-cyano-2-nitro-anilino)propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-(4-cyano-2-nitroanilino)propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-(4-cyano-2-nitroanilino)propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-(4-cyano-2-nitro-anilino)propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C20H17N7O2/c21-12-14-8-9-18(19(11-14)27(28)29)24-10-4-7-17-16(13-22)20(23)26(25-17)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,24H,4,7,10,23H2