4-[(3-ethyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-ethyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-ethyl-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-ethyl-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-ethyl-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-ethyl-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carbonitrile hydrochloride Formula: C24H28ClN5O2 MolecularWeight: 453.96442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)OC.Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)OC.Cl

InChI

InChI=1S/C24H27N5O2.ClH/c1-3-18-12-17(5-7-22(18)31-2)15-26-23-21-13-16(14-25)4-6-20(21)24(28-27-23)29-10-8-19(30)9-11-29;/h4-7,12-13,19,30H,3,8-11,15H2,1-2H3,(H,26,27);1H