3-[[(3-cyanophenyl)methyl-methyl-amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[(3-cyanophenyl)methyl-methyl-amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[(3-cyanophenyl)methyl-methyl-amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[(3-cyanobenzyl)-methyl-amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N5O2/c1-22-19(26)18-16-8-3-4-9-17(16)20(27)25(23-18)13-24(2)12-15-7-5-6-14(10-15)11-21/h3-10H,12-13H2,1-2H3,(H,22,26)