N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-benzylidene]amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)/C=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H22N6O2/c1-3-28(12-6-11-23)17-10-9-16(15(2)13-17)14-24-26-22(30)20-18-7-4-5-8-19(18)21(29)27-25-20/h4-5,7-10,13-14H,3,6,12H2,1-2H3,(H,26,30)(H,27,29)/b24-14-