N-[[3-fluoranyl-4-[3-[3-[2-(4-oxidanylpiperidin-1-yl)ethanoylamino]prop-1-ynyl]pyridin-4-yl]oxy-phenyl]carbamoyl]-2-(4-fluorophenyl)ethanamide dihydrochloride

Systemtic Name: N-[[3-fluoranyl-4-[3-[3-[2-(4-oxidanylpiperidin-1-yl)ethanoylamino]prop-1-ynyl]pyridin-4-yl]oxy-phenyl]carbamoyl]-2-(4-fluorophenyl)ethanamide dihydrochloride Openeye Name: N-[[3-fluoro-4-[[3-[3-[[2-(4-hydroxy-1-piperidyl)acetyl]amino]prop-1-ynyl]-4-pyridyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide dihydrochloride CAS Name: N-[[3-fluoro-4-[[3-[3-[[2-(4-hydroxy-1-piperidinyl)-1-oxoethyl]amino]prop-1-ynyl]-4-pyridinyl]oxy]anilino]-oxomethyl]-2-(4-fluorophenyl)acetamide dihydrochloride IUPAC Name: N-[[3-fluoro-4-[3-[3-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]prop-1-ynyl]pyridin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide dihydrochloride Traditional Name: N-[[3-fluoro-4-[[3-[3-[[2-(4-hydroxypiperidino)acetyl]amino]prop-1-ynyl]-4-pyridyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide dihydrochloride Formula: C30H31Cl2F2N5O5 MolecularWeight: 650.500446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC(=O)NCC#CC2=C(C=CN=C2)OC3=C(C=C(C=C3)NC(=O)NC(=O)CC4=CC=C(C=C4)F)F.Cl.Cl

Isomeric SMILES

C1CN(CCC1O)CC(=O)NCC#CC2=C(C=CN=C2)OC3=C(C=C(C=C3)NC(=O)NC(=O)CC4=CC=C(C=C4)F)F.Cl.Cl

InChI

InChI=1S/C30H29F2N5O5.2ClH/c31-22-5-3-20(4-6-22)16-28(39)36-30(41)35-23-7-8-27(25(32)17-23)42-26-9-13-33-18-21(26)2-1-12-34-29(40)19-37-14-10-24(38)11-15-37;;/h3-9,13,17-18,24,38H,10-12,14-16,19H2,(H,34,40)(H2,35,36,39,41);2*1H