4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-[4-fluoranyl-4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-[4-fluoranyl-4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methylamino]-1-[4-fluoro-4-(hydroxymethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-bromo-4-methoxy-benzyl)amino]-1-(4-fluoro-4-methylol-piperidino)phthalazine-6-carbonitrile Formula: C23H23BrFN5O2 MolecularWeight: 500.363423

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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)(CO)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrFN5O2/c1-32-20-5-3-16(11-19(20)24)13-27-21-18-10-15(12-26)2-4-17(18)22(29-28-21)30-8-6-23(25,14-31)7-9-30/h2-5,10-11,31H,6-9,13-14H2,1H3,(H,27,28)