4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methyl-4-oxidanyl-piperidin-1-yl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methyl-4-oxidanyl-piperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-4-methyl-1-piperidyl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-4-methyl-1-piperidinyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-4-methylpiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxy-4-methyl-piperidino)phthalazine-6-carbonitrile hydrochloride Formula: C23H25Cl2N5O2 MolecularWeight: 474.3829

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl)O.Cl

Isomeric SMILES

CC1(CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl)O.Cl

InChI

InChI=1S/C23H24ClN5O2.ClH/c1-23(30)7-9-29(10-8-23)22-17-5-3-15(13-25)11-18(17)21(27-28-22)26-14-16-4-6-20(31-2)19(24)12-16;/h3-6,11-12,30H,7-10,14H2,1-2H3,(H,26,27);1H