N-methyl-4-oxidanylidene-3-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]phthalazine-1-carboxamide Openeye Name: 3-[[allyl(2-thienylmethyl)amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]phthalazine-1-carboxamide Traditional Name: 3-[[allyl(2-thenyl)amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(CC=C)CC3=CC=CS3

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(CC=C)CC3=CC=CS3

InChI

InChI=1S/C19H20N4O2S/c1-3-10-22(12-14-7-6-11-26-14)13-23-19(25)16-9-5-4-8-15(16)17(21-23)18(24)20-2/h3-9,11H,1,10,12-13H2,2H3,(H,20,24)