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

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C16H15N7O2/c17-8-11-12(20-22-14(11)18)6-3-7-19-16(25)13-9-4-1-2-5-10(9)15(24)23-21-13/h1-2,4-5H,3,6-7H2,(H,19,25)(H,23,24)(H3,18,20,22)