N-[(E)-(4-cyanophenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(4-cyanophenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-cyanophenyl)methyleneamino]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-cyanophenyl)methylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-cyanophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[(E)-(4-cyanobenzylidene)amino]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N5O2/c1-13(2)25-20(27)17-6-4-3-5-16(17)18(24-25)19(26)23-22-12-15-9-7-14(11-21)8-10-15/h3-10,12-13H,1-2H3,(H,23,26)/b22-12+