4-oxidanylidene-3-(phenylmethyl)-N-[(E)-pyridin-4-ylmethylideneamino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[(E)-pyridin-4-ylmethylideneamino]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[(E)-4-pyridylmethyleneamino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-4-pyridylmethyleneamino]phthalazine-1-carboxamide Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NN=CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N/N=C/C4=CC=NC=C4

InChI

InChI=1S/C22H17N5O2/c28-21(25-24-14-16-10-12-23-13-11-16)20-18-8-4-5-9-19(18)22(29)27(26-20)15-17-6-2-1-3-7-17/h1-14H,15H2,(H,25,28)/b24-14+