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

Systemtic Name: methyl 2-[[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-(diphenylmethyl)-1-piperazinyl]-2-quinoxalinyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C33H33N5O2S MolecularWeight: 563.71242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C33H33N5O2S/c1-22-23(2)41-32(28(22)33(39)40-3)36-30-31(35-27-17-11-10-16-26(27)34-30)38-20-18-37(19-21-38)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,29H,18-21H2,1-3H3,(H,34,36)