N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C22H19N7O2 MolecularWeight: 413.43196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C22H19N7O2/c23-13-17-18(26-27-20(17)24)11-6-12-25-21(30)19-15-9-4-5-10-16(15)22(31)29(28-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-12H2,(H,25,30)(H3,24,26,27)