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

Systemtic Name: 1-[4-(hydroxymethyl)piperidin-1-yl]-4-[(3-methoxy-4-methyl-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride Openeye Name: 1-[4-(hydroxymethyl)-1-piperidyl]-4-[(3-methoxy-4-methyl-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride CAS Name: 1-[4-(hydroxymethyl)-1-piperidinyl]-4-[(3-methoxy-4-methylphenyl)methylamino]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 1-[4-(hydroxymethyl)piperidin-1-yl]-4-[(3-methoxy-4-methylphenyl)methylamino]phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-methoxy-4-methyl-benzyl)amino]-1-(4-methylolpiperidino)phthalazine-6-carbonitrile hydrochloride Formula: C24H28ClN5O2 MolecularWeight: 453.96442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)CO)OC.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)CO)OC.Cl

InChI

InChI=1S/C24H27N5O2.ClH/c1-16-3-4-19(12-22(16)31-2)14-26-23-21-11-18(13-25)5-6-20(21)24(28-27-23)29-9-7-17(15-30)8-10-29;/h3-6,11-12,17,30H,7-10,14-15H2,1-2H3,(H,26,27);1H