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

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methyl-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methylphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methylphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methyl-benzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carbonitrile Formula: C22H22ClN5O MolecularWeight: 407.89598

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O/c1-14-2-3-16(11-20(14)23)13-25-21-19-10-15(12-24)4-5-18(19)22(27-26-21)28-8-6-17(29)7-9-28/h2-5,10-11,17,29H,6-9,13H2,1H3,(H,25,26)