5-azanyl-3-[3-[(8-nitroisoquinolin-5-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(8-nitroisoquinolin-5-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-[(8-nitro-5-isoquinolyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[(8-nitro-5-isoquinolinyl)amino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-[(8-nitroisoquinolin-5-yl)amino]propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-[(8-nitro-5-isoquinolyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H19N7O2 MolecularWeight: 413.43196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C22H19N7O2/c23-13-17-20(27-28(22(17)24)15-5-2-1-3-6-15)7-4-11-26-19-8-9-21(29(30)31)18-14-25-12-10-16(18)19/h1-3,5-6,8-10,12,14,26H,4,7,11,24H2