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

Systemtic Name: [1-[4-[(3-bromanyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-fluoranyl-piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-bromo-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol CAS Name: [1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-fluoro-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-fluoropiperidin-4-yl]methanol Traditional Name: [1-[4-[(3-bromo-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol Formula: C23H23BrFN5O MolecularWeight: 484.364023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrFN5O/c1-15-3-4-16(11-20(15)24)13-27-21-19-12-17(26-2)5-6-18(19)22(29-28-21)30-9-7-23(25,14-31)8-10-30/h3-6,11-12,31H,7-10,13-14H2,1H3,(H,27,28)