1-[5-azanyl-4-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-cyano-phthalazin-1-yl]piperidine-4-carboxylic acid hydrochloride

Systemtic Name: 1-[5-azanyl-4-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-cyano-phthalazin-1-yl]piperidine-4-carboxylic acid hydrochloride Openeye Name: 1-[5-amino-4-[(3-chloro-4-methoxy-phenyl)methyl]-6-cyano-phthalazin-1-yl]piperidine-4-carboxylic acid hydrochloride CAS Name: 1-[5-amino-4-[(3-chloro-4-methoxyphenyl)methyl]-6-cyano-1-phthalazinyl]-4-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-[5-amino-4-[(3-chloro-4-methoxyphenyl)methyl]-6-cyanophthalazin-1-yl]piperidine-4-carboxylic acid hydrochloride Traditional Name: 1-[5-amino-4-(3-chloro-4-methoxy-benzyl)-6-cyano-phthalazin-1-yl]isonipecotic acid hydrochloride Formula: C23H23Cl2N5O3 MolecularWeight: 488.36642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(C3=C2C(=C(C=C3)C#N)N)N4CCC(CC4)C(=O)O)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(C3=C2C(=C(C=C3)C#N)N)N4CCC(CC4)C(=O)O)Cl.Cl

InChI

InChI=1S/C23H22ClN5O3.ClH/c1-32-19-5-2-13(10-17(19)24)11-18-20-16(4-3-15(12-25)21(20)26)22(28-27-18)29-8-6-14(7-9-29)23(30)31;/h2-5,10,14H,6-9,11,26H2,1H3,(H,30,31);1H