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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)CC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)CC(=O)O)Cl

InChI

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