methyl 4,5-dimethyl-2-[[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzylpiperidino)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O2S/c1-18-19(2)35-27(24(18)28(33)34-3)31-25-26(30-23-12-8-7-11-22(23)29-25)32-15-13-21(14-16-32)17-20-9-5-4-6-10-20/h4-12,21H,13-17H2,1-3H3,(H,29,31)