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

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]acetic acid Formula: C24H24ClN5O3 MolecularWeight: 465.93206

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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)OCC(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN5O3/c1-15-3-4-16(11-21(15)25)13-27-23-20-12-17(26-2)5-6-19(20)24(29-28-23)30-9-7-18(8-10-30)33-14-22(31)32/h3-6,11-12,18H,7-10,13-14H2,1H3,(H,27,28)(H,31,32)