methyl 2-[4-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[4-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-5-chloro-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[4-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-5-chloro-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-5-chloro-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[4-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-5-chloro-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)C(C#N)C2=NC3=CC=CC=C3N2)Cl

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)[C@H](C#N)C2=NC3=CC=CC=C3N2)Cl

InChI

InChI=1S/C16H12ClN5O3/c1-25-13(23)8-22-16(24)14(17)10(7-19-22)9(6-18)15-20-11-4-2-3-5-12(11)21-15/h2-5,7,9H,8H2,1H3,(H,20,21)/t9-/m0/s1