1-[4-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-2-methoxy-ethanone CAS Name: 1-[4-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-methoxyethanone IUPAC Name: 1-[4-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]-2-methoxy-ethanone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

COCC(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

InChI=1S/C25H26N4O4/c1-4-17-6-5-7-18(12-17)28-25-20-13-23(22(32-3)14-21(20)26-16-27-25)33-19-8-10-29(11-9-19)24(30)15-31-2/h1,5-7,12-14,16,19H,8-11,15H2,2-3H3,(H,26,27,28)