ethyl 2-[[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[4-(diphenylmethyl)-1-piperazinyl]-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C36H37N5O2S MolecularWeight: 603.77628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C36H37N5O2S/c1-2-43-36(42)31-27-17-9-12-20-30(27)44-35(31)39-33-34(38-29-19-11-10-18-28(29)37-33)41-23-21-40(22-24-41)32(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-8,10-11,13-16,18-19,32H,2,9,12,17,20-24H2,1H3,(H,37,39)