2-[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]-2-fluoranyl-ethanol

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]-2-fluoranyl-ethanol Openeye Name: 2-[1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]-2-fluoro-ethanol CAS Name: 2-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]-2-fluoroethanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]-2-fluoroethanol Traditional Name: 2-[1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]-2-fluoro-ethanol Formula: C24H25ClFN5O MolecularWeight: 453.939603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClFN5O/c1-15-3-4-16(11-21(15)25)13-28-23-20-12-18(27-2)5-6-19(20)24(30-29-23)31-9-7-17(8-10-31)22(26)14-32/h3-6,11-12,17,22,32H,7-10,13-14H2,1H3,(H,28,29)