4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-(4-hydroxypiperidino)phthalazine-6-carbonitrile hydrochloride Formula: C23H25Cl2N5O2 MolecularWeight: 474.3829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)Cl.Cl

InChI

InChI=1S/C23H24ClN5O2.ClH/c1-31-21-5-3-15(13-20(21)24)6-9-26-22-19-12-16(14-25)2-4-18(19)23(28-27-22)29-10-7-17(30)8-11-29;/h2-5,12-13,17,30H,6-11H2,1H3,(H,26,27);1H