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

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]propanoic acid Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]propanoic acid CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]propanoic acid Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]propionic acid Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl)C(=O)O

Isomeric SMILES

CC(C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl)C(=O)O

InChI

InChI=1S/C25H26ClN5O3/c1-15(25(32)33)17-8-10-31(11-9-17)24-19-6-5-18(27-2)13-20(19)23(29-30-24)28-14-16-4-7-22(34-3)21(26)12-16/h4-7,12-13,15,17H,8-11,14H2,1,3H3,(H,28,29)(H,32,33)