4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(4-hydroxypiperidino)phthalazine-6-carbonitrile Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)O)C#N)Cl

InChI

InChI=1S/C22H22ClN5O2/c1-30-21-3-2-14(9-19(21)23)12-25-22-17-8-15(11-24)10-20(18(17)13-26-27-22)28-6-4-16(29)5-7-28/h2-3,8-10,13,16,29H,4-7,12H2,1H3,(H,25,27)