N-[6-(dimethylamino)pyridin-3-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[6-(dimethylamino)pyridin-3-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[6-(dimethylamino)-3-pyridyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[6-(dimethylamino)-3-pyridinyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[6-(dimethylamino)pyridin-3-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[6-(dimethylamino)-3-pyridyl]-4-keto-phthalazine-1-carboxamide Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=NC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c1-27(2)20-13-12-17(14-24-20)25-22(29)21-18-10-6-7-11-19(18)23(30)28(26-21)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,29)