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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC(C2CCNC(C2)C#N)(C3=NN=CC4=CC=CC=C43)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC(C2CCNC(C2)C#N)(C3=NN=CC4=CC=CC=C43)C(=O)O)Cl

InChI

InChI=1S/C25H26ClN5O3/c1-34-22-7-6-16(10-21(22)26)13-28-15-25(24(32)33,18-8-9-29-19(11-18)12-27)23-20-5-3-2-4-17(20)14-30-31-23/h2-7,10,14,18-19,28-29H,8-9,11,13,15H2,1H3,(H,32,33)