2-[1-[4-[2-(3-chloranyl-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanol

Systemtic Name: 2-[1-[4-[2-(3-chloranyl-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanol Openeye Name: 2-[[1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol CAS Name: 2-[[1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]oxy]ethanol IUPAC Name: 2-[1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]oxyethanol Traditional Name: 2-[[1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol Formula: C25H28ClN5O2 MolecularWeight: 465.97512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCCO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCCO)Cl

InChI

InChI=1S/C25H28ClN5O2/c1-17-3-4-18(15-23(17)26)7-10-28-24-22-16-19(27-2)5-6-21(22)25(30-29-24)31-11-8-20(9-12-31)33-14-13-32/h3-6,15-16,20,32H,7-14H2,1H3,(H,28,29)