2-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-1-piperazin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-1-piperazin-1-yl-ethanone Openeye Name: 2-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-1-piperazin-1-yl-ethanone CAS Name: 2-[4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-1-(1-piperazinyl)ethanone IUPAC Name: 2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-1-piperazin-1-ylethanone Traditional Name: 2-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]-1-piperazino-ethanone Formula: C26H30ClFN6O3 MolecularWeight: 529.006203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)CC(=O)N5CCNCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)CC(=O)N5CCNCC5

InChI

InChI=1S/C26H30ClFN6O3/c1-36-22-14-21-18(26(31-16-30-21)32-20-4-2-3-19(27)25(20)28)13-23(22)37-17-5-9-33(10-6-17)15-24(35)34-11-7-29-8-12-34/h2-4,13-14,16-17,29H,5-12,15H2,1H3,(H,30,31,32)