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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(1,2,4-triazol-1-yl)phenyl]phthalazine-1-carboxamide Formula: C24H18N6O2 MolecularWeight: 422.43872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4N5C=NC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4N5C=NC=N5

InChI

InChI=1S/C24H18N6O2/c31-23(27-20-12-6-7-13-21(20)30-16-25-15-26-30)22-18-10-4-5-11-19(18)24(32)29(28-22)14-17-8-2-1-3-9-17/h1-13,15-16H,14H2,(H,27,31)