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

Systemtic Name: ethyl 4-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]-methyl-amino]butanoate Openeye Name: ethyl 4-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]-methyl-amino]butanoate CAS Name: 4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-2-quinazolinyl]-methylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinazolin-2-yl]-methylamino]butanoate Traditional Name: 4-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinazolin-2-yl]-methyl-amino]butyric acid ethyl ester Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN5O3/c1-4-33-22(31)6-5-11-30(2)24-28-20-9-7-16(14-26)12-18(20)23(29-24)27-15-17-8-10-21(32-3)19(25)13-17/h7-10,12-13H,4-6,11,15H2,1-3H3,(H,27,28,29)