[4-fluoranyl-1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]methanol

Systemtic Name: [4-fluoranyl-1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]methanol Openeye Name: [4-fluoro-1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]-4-piperidyl]methanol CAS Name: [4-fluoro-1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]-1-phthalazinyl]-4-piperidinyl]methanol IUPAC Name: [4-fluoro-1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]methanol Traditional Name: [4-fluoro-1-[6-isocyano-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazin-1-yl]-4-piperidyl]methanol 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)[N+]#[C-])N4CCC(CC4)(CO)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN5O2/c1-16-12-17(4-7-21(16)32-3)14-27-22-20-13-18(26-2)5-6-19(20)23(29-28-22)30-10-8-24(25,15-31)9-11-30/h4-7,12-13,31H,8-11,14-15H2,1,3H3,(H,27,28)