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

Systemtic Name: ethyl 4,5-dimethyl-2-[[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]amino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2S/c1-4-35-29(34)25-19(2)20(3)36-28(25)32-26-27(31-24-13-9-8-12-23(24)30-26)33-16-14-22(15-17-33)18-21-10-6-5-7-11-21/h5-13,22H,4,14-18H2,1-3H3,(H,30,32)