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

Systemtic Name: 5-azanyl-4-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 5-amino-4-[(3-chloro-4-methoxy-phenyl)methyl]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 5-amino-4-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 5-amino-4-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 5-amino-4-(3-chloro-4-methoxy-benzyl)-1-(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)CC2=NN=C(C3=C2C(=C(C=C3)C#N)N)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(C3=C2C(=C(C=C3)C#N)N)N4CCC(CC4)O)Cl

InChI

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