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

Systemtic Name: [4-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-morpholino-methanone CAS Name: [4-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]-morpholino-methanone Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OC4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OC4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C27H29N5O4/c1-3-19-5-4-6-20(15-19)30-26-22-16-25(24(34-2)17-23(22)28-18-29-26)36-21-7-9-31(10-8-21)27(33)32-11-13-35-14-12-32/h1,4-6,15-18,21H,7-14H2,2H3,(H,28,29,30)