N-methyl-4-oxidanylidene-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazine-1-carboxamide Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H14N4O3S/c1-19-16(23)15-12-5-2-3-6-13(12)18(24)22(21-15)9-11-10-25-17(20-11)14-7-4-8-26-14/h2-8,10H,9H2,1H3,(H,19,23)