4-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]-methyl-amino]butanoic acid Openeye Name: 4-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]-methyl-amino]butanoic acid CAS Name: 4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-2-quinazolinyl]-methylamino]butanoic acid IUPAC Name: 4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinazolin-2-yl]-methylamino]butanoic acid Traditional Name: 4-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinazolin-2-yl]-methyl-amino]butyric acid Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H22ClN5O3/c1-28(9-3-4-20(29)30)22-26-18-7-5-14(12-24)10-16(18)21(27-22)25-13-15-6-8-19(31-2)17(23)11-15/h5-8,10-11H,3-4,9,13H2,1-2H3,(H,29,30)(H,25,26,27)