N-isoquinolin-5-yl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-isoquinolin-5-yl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-isoquinolyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-isoquinolinyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-isoquinolin-5-yl-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(5-isoquinolyl)-4-keto-phthalazine-1-carboxamide Formula: C25H18N4O2 MolecularWeight: 406.43602

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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=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H18N4O2/c30-24(27-22-12-6-9-18-15-26-14-13-19(18)22)23-20-10-4-5-11-21(20)25(31)29(28-23)16-17-7-2-1-3-8-17/h1-15H,16H2,(H,27,30)