N-(5-morpholin-4-ylpyridin-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(5-morpholin-4-ylpyridin-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-morpholino-2-pyridyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(4-morpholinyl)-2-pyridinyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(5-morpholin-4-ylpyridin-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(5-morpholino-2-pyridyl)phthalazine-1-carboxamide Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CN=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CN=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/c31-24(27-22-11-10-19(16-26-22)29-12-14-33-15-13-29)23-20-8-4-5-9-21(20)25(32)30(28-23)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,26,27,31)