N-(3-chloranyl-4-phenoxy-phenyl)-2-ethynyl-7-methoxy-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-phenoxy-phenyl)-2-ethynyl-7-methoxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-phenoxy-phenyl)-2-ethynyl-7-methoxy-quinazolin-4-amine CAS Name: N-(3-chloro-4-phenoxyphenyl)-2-ethynyl-7-methoxy-4-quinazolinamine IUPAC Name: N-(3-chloro-4-phenoxyphenyl)-2-ethynyl-7-methoxyquinazolin-4-amine Traditional Name: (3-chloro-4-phenoxy-phenyl)-(2-ethynyl-7-methoxy-quinazolin-4-yl)amine Formula: C23H16ClN3O2 MolecularWeight: 401.84504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C#C)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C#C)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H16ClN3O2/c1-3-22-26-20-14-17(28-2)10-11-18(20)23(27-22)25-15-9-12-21(19(24)13-15)29-16-7-5-4-6-8-16/h1,4-14H,2H3,(H,25,26,27)