1-(4-azanylpiperidin-1-yl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride

Systemtic Name: 1-(4-azanylpiperidin-1-yl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride Openeye Name: 1-(4-amino-1-piperidyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride CAS Name: 1-(4-amino-1-piperidinyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 1-(4-aminopiperidin-1-yl)-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride Traditional Name: 1-(4-aminopiperidino)-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile dihydrochloride Formula: C22H25Cl3N6O MolecularWeight: 495.8325

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)N)Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)N)Cl.Cl.Cl

InChI

InChI=1S/C22H23ClN6O.2ClH/c1-30-20-5-3-15(11-19(20)23)13-26-21-18-10-14(12-24)2-4-17(18)22(28-27-21)29-8-6-16(25)7-9-29;;/h2-5,10-11,16H,6-9,13,25H2,1H3,(H,26,27);2*1H