N-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide

Systemtic Name: N-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide Openeye Name: N-[4-(4-bromo-2-fluoro-anilino)-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide CAS Name: N-[4-(4-bromo-2-fluoroanilino)-7-[(1-methyl-4-piperidinyl)methoxy]-6-quinazolinyl]-3-(1-oxoprop-2-enylamino)propanamide IUPAC Name: N-[4-(4-bromo-2-fluoroanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide Traditional Name: 3-acrylamido-N-[4-(4-bromo-2-fluoro-anilino)-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-6-yl]propionamide Formula: C27H30BrFN6O3 MolecularWeight: 585.467903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)NC(=O)CCNC(=O)C=C

Isomeric SMILES

CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)NC(=O)CCNC(=O)C=C

InChI

InChI=1S/C27H30BrFN6O3/c1-3-25(36)30-9-6-26(37)33-23-13-19-22(14-24(23)38-15-17-7-10-35(2)11-8-17)31-16-32-27(19)34-21-5-4-18(28)12-20(21)29/h3-5,12-14,16-17H,1,6-11,15H2,2H3,(H,30,36)(H,33,37)(H,31,32,34)