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

Systemtic Name: 5-azanyl-3-[3-[(5-nitropyridin-2-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-[(5-nitro-2-pyridyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[(5-nitro-2-pyridinyl)amino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-[(5-nitropyridin-2-yl)amino]propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-[(5-nitro-2-pyridyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C18H17N7O2 MolecularWeight: 363.37328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7O2/c19-11-15-16(23-24(18(15)20)13-5-2-1-3-6-13)7-4-10-21-17-9-8-14(12-22-17)25(26)27/h1-3,5-6,8-9,12H,4,7,10,20H2,(H,21,22)