N-[2-chloranyl-5-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-4-cyano-benzamide

Systemtic Name: N-[2-chloranyl-5-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-4-cyano-benzamide Openeye Name: N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-4-cyano-benzamide CAS Name: N-[2-chloro-5-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-4-cyanobenzamide Traditional Name: N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-4-cyano-benzamide Formula: C24H18ClN5O3 MolecularWeight: 459.88442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C24H18ClN5O3/c1-32-21-10-17-19(11-22(21)33-2)27-13-28-23(17)29-16-7-8-18(25)20(9-16)30-24(31)15-5-3-14(12-26)4-6-15/h3-11,13H,1-2H3,(H,30,31)(H,27,28,29)