tert-butyl N-(4-chloranyl-7-cyano-phthalazin-1-yl)-N-[(3-chloranyl-4-methoxy-phenyl)methyl]carbamate

Systemtic Name: tert-butyl N-(4-chloranyl-7-cyano-phthalazin-1-yl)-N-[(3-chloranyl-4-methoxy-phenyl)methyl]carbamate Openeye Name: tert-butyl N-(4-chloro-7-cyano-phthalazin-1-yl)-N-[(3-chloro-4-methoxy-phenyl)methyl]carbamate CAS Name: N-(4-chloro-7-cyano-1-phthalazinyl)-N-[(3-chloro-4-methoxyphenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-chloro-7-cyanophthalazin-1-yl)-N-[(3-chloro-4-methoxyphenyl)methyl]carbamate Traditional Name: N-(4-chloro-7-cyano-phthalazin-1-yl)-N-(3-chloro-4-methoxy-benzyl)carbamic acid tert-butyl ester Formula: C22H20Cl2N4O3 MolecularWeight: 459.3252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC(=C(C=C1)OC)Cl)C2=NN=C(C3=C2C=C(C=C3)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC(=C(C=C1)OC)Cl)C2=NN=C(C3=C2C=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H20Cl2N4O3/c1-22(2,3)31-21(29)28(12-14-6-8-18(30-4)17(23)10-14)20-16-9-13(11-25)5-7-15(16)19(24)26-27-20/h5-10H,12H2,1-4H3