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

Systemtic Name: 1-[4-[2-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]ethanone Openeye Name: 1-[4-[2-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]ethanone CAS Name: 1-[4-[[2-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[2-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone Traditional Name: 1-[4-[2-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]ethanone Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-4-17-6-5-7-19(12-17)26-24-25-15-18-13-23(22(30-3)14-21(18)27-24)31-20-8-10-28(11-9-20)16(2)29/h1,5-7,12-15,20H,8-11H2,2-3H3,(H,25,26,27)