tert-butyl 2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-1-oxidanylidene-phthalazin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-1-oxidanylidene-phthalazin-2-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-1-oxo-phthalazin-2-yl]acetate CAS Name: 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-oxo-2-phthalazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-oxophthalazin-2-yl]acetate Traditional Name: 2-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-1-keto-phthalazin-2-yl]acetic acid tert-butyl ester Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)C2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C23H23ClN4O4/c1-23(2,3)32-20(29)13-28-22(30)16-7-5-14(11-25)9-17(16)21(27-28)26-12-15-6-8-19(31-4)18(24)10-15/h5-10H,12-13H2,1-4H3,(H,26,27)