N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H13FN4O2 MolecularWeight: 336.319823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H13FN4O2/c1-23-18(25)14-5-3-2-4-13(14)16(22-23)17(24)21-15(10-20)11-6-8-12(19)9-7-11/h2-9,15H,1H3,(H,21,24)/t15-/m1/s1