5-butanoyl-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]thieno[2,3-b]pyridin-4-one hydrochloride

Systemtic Name: 5-butanoyl-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]thieno[2,3-b]pyridin-4-one hydrochloride Openeye Name: 3-[[benzyl(methyl)amino]methyl]-5-butanoyl-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)thieno[2,3-b]pyridin-4-one hydrochloride CAS Name: 7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]-5-(1-oxobutyl)-4-thieno[2,3-b]pyridinone hydrochloride IUPAC Name: 3-[[benzyl(methyl)amino]methyl]-5-butanoyl-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)thieno[2,3-b]pyridin-4-one hydrochloride Traditional Name: 3-[[benzyl(methyl)amino]methyl]-5-butyryl-7-(2-fluorobenzyl)-2-(4-methoxyphenyl)thieno[2,3-b]pyridin-4-one hydrochloride Formula: C34H34ClFN2O3S MolecularWeight: 605.161763

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CN(C)CC4=CC=CC=C4)CC5=CC=CC=C5F.Cl

Isomeric SMILES

CCCC(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CN(C)CC4=CC=CC=C4)CC5=CC=CC=C5F.Cl

InChI

InChI=1S/C34H33FN2O3S.ClH/c1-4-10-30(38)27-22-37(20-25-13-8-9-14-29(25)35)34-31(32(27)39)28(21-36(2)19-23-11-6-5-7-12-23)33(41-34)24-15-17-26(40-3)18-16-24;/h5-9,11-18,22H,4,10,19-21H2,1-3H3;1H