4-oxidanylidene-N-[4-(pyridin-4-ylmethyl)phenyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[4-(pyridin-4-ylmethyl)phenyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[4-(4-pyridylmethyl)phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(4-pyridylmethyl)phenyl]-3H-phthalazine-1-carboxamide Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C21H16N4O2/c26-20-18-4-2-1-3-17(18)19(24-25-20)21(27)23-16-7-5-14(6-8-16)13-15-9-11-22-12-10-15/h1-12H,13H2,(H,23,27)(H,25,26)