4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(1-fluoranyl-2-oxidanyl-ethyl)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(1-fluoranyl-2-oxidanyl-ethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-(1-fluoro-2-hydroxy-ethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(1-fluoro-2-hydroxyethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(1-fluoro-2-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[4-(1-fluoro-2-hydroxy-ethyl)piperidino]phthalazine-6-carbonitrile Formula: C24H25ClFN5O2 MolecularWeight: 469.939003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C(CO)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C(CO)F)Cl

InChI

InChI=1S/C24H25ClFN5O2/c1-33-22-5-3-16(11-20(22)25)13-28-23-19-10-15(12-27)2-4-18(19)24(30-29-23)31-8-6-17(7-9-31)21(26)14-32/h2-5,10-11,17,21,32H,6-9,13-14H2,1H3,(H,28,29)