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

Systemtic Name: N-methyl-4-oxidanylidene-3-[[(phenylmethyl)-prop-2-enyl-amino]methyl]phthalazine-1-carboxamide Openeye Name: 3-[[allyl(benzyl)amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[[(phenylmethyl)-prop-2-enylamino]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-[[benzyl(prop-2-enyl)amino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[allyl(benzyl)amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-3-13-24(14-16-9-5-4-6-10-16)15-25-21(27)18-12-8-7-11-17(18)19(23-25)20(26)22-2/h3-12H,1,13-15H2,2H3,(H,22,26)