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

Systemtic Name: 1-[4-fluoranyl-4-(hydroxymethyl)piperidin-1-yl]-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazine-6-carbonitrile Openeye Name: 1-[4-fluoro-4-(hydroxymethyl)-1-piperidyl]-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazine-6-carbonitrile CAS Name: 1-[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]-4-[(4-methoxy-3-methylphenyl)methylamino]-6-phthalazinecarbonitrile IUPAC Name: 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazine-6-carbonitrile Traditional Name: 1-(4-fluoro-4-methylol-piperidino)-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazine-6-carbonitrile Formula: C24H26FN5O2 MolecularWeight: 435.493943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)(CO)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)(CO)F)OC

InChI

InChI=1S/C24H26FN5O2/c1-16-11-18(4-6-21(16)32-2)14-27-22-20-12-17(13-26)3-5-19(20)23(29-28-22)30-9-7-24(25,15-31)8-10-30/h3-6,11-12,31H,7-10,14-15H2,1-2H3,(H,27,28)