4-oxidanylidene-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3H-phthalazine-1-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H17N5O2/c26-19-17-9-5-4-8-16(17)18(23-24-19)20(27)21-11-10-14-12-22-25(13-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,27)(H,24,26)