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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1O)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl.Cl

Isomeric SMILES

CC1CN(CCC1O)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl.Cl

InChI

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