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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C23H15ClN6O2 MolecularWeight: 442.8572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5

InChI

InChI=1S/C23H15ClN6O2/c24-15-10-11-20(29-14-25-13-26-29)19(12-15)27-22(31)21-17-8-4-5-9-18(17)23(32)30(28-21)16-6-2-1-3-7-16/h1-14H,(H,27,31)