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

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 1-(4-hydroxy-1-piperidyl)-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride CAS Name: 1-(4-hydroxy-1-piperidinyl)-4-[(4-methoxy-3-methylphenyl)methylamino]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 1-(4-hydroxypiperidin-1-yl)-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazine-6-carbonitrile hydrochloride Traditional Name: 1-(4-hydroxypiperidino)-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazine-6-carbonitrile hydrochloride Formula: C23H26ClN5O2 MolecularWeight: 439.93784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2.ClH/c1-15-11-17(4-6-21(15)30-2)14-25-22-20-12-16(13-24)3-5-19(20)23(27-26-22)28-9-7-18(29)8-10-28;/h3-6,11-12,18,29H,7-10,14H2,1-2H3,(H,25,26);1H