2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-4-oxidanyl-1-phthalazin-1-yl-piperidine-4-carboxamide hydrochloride

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-4-oxidanyl-1-phthalazin-1-yl-piperidine-4-carboxamide hydrochloride Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-4-hydroxy-1-phthalazin-1-yl-piperidine-4-carboxamide hydrochloride CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-4-hydroxy-1-(1-phthalazinyl)-4-piperidinecarboxamide hydrochloride IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-4-hydroxy-1-phthalazin-1-ylpiperidine-4-carboxamide hydrochloride Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-4-hydroxy-1-phthalazin-1-yl-isonipecotamide hydrochloride Formula: C23H24Cl2N6O3 MolecularWeight: 503.38106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CC(CC(N2C3=NN=CC4=CC=CC=C43)C#N)(C(=O)N)O)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CC(CC(N2C3=NN=CC4=CC=CC=C43)C#N)(C(=O)N)O)Cl.Cl

InChI

InChI=1S/C23H23ClN6O3.ClH/c1-33-19-7-6-14(8-18(19)24)12-27-20-10-23(32,22(26)31)9-16(11-25)30(20)21-17-5-3-2-4-15(17)13-28-29-21;/h2-8,13,16,20,27,32H,9-10,12H2,1H3,(H2,26,31);1H