N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C19H15ClN6O2 MolecularWeight: 394.8144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C19H15ClN6O2/c1-2-25-19(28)14-6-4-3-5-13(14)17(24-25)18(27)23-15-9-12(20)7-8-16(15)26-11-21-10-22-26/h3-11H,2H2,1H3,(H,23,27)