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

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]piperidin-4-yl]propanoic acid Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]-4-piperidyl]propanoic acid CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-phthalazinyl]-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanophthalazin-1-yl]piperidin-4-yl]propanoic acid Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-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)C#N)NCC4=CC(=C(C=C4)OC)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN5O3/c1-15(25(32)33)18-7-9-31(10-8-18)24-19-5-3-16(13-27)11-20(19)23(29-30-24)28-14-17-4-6-22(34-2)21(26)12-17/h3-6,11-12,15,18H,7-10,14H2,1-2H3,(H,28,29)(H,32,33)