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

Systemtic Name: N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-[4-[2-cyanoethyl(methyl)amino]benzylidene]amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)N(C)CCC#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(C=C3)N(C)CCC#N

InChI

InChI=1S/C21H20N6O2/c1-26(13-5-12-22)16-10-8-15(9-11-16)14-23-24-20(28)19-17-6-3-4-7-18(17)21(29)27(2)25-19/h3-4,6-11,14H,5,13H2,1-2H3,(H,24,28)/b23-14-