ethyl 7-oxidanylidene-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepane-2-carboxylate

Systemtic Name: ethyl 7-oxidanylidene-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepane-2-carboxylate Openeye Name: ethyl 7-oxo-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-3-thienyl]methyl]azepane-2-carboxylate CAS Name: 7-oxo-1-[[5-[[4-(2-phenoxyphenyl)-1-piperazinyl]methyl]-3-thiophenyl]methyl]-2-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepane-2-carboxylate Traditional Name: 7-keto-1-[[5-[[4-(2-phenoxyphenyl)piperazino]methyl]-3-thienyl]methyl]azepane-2-carboxylic acid ethyl ester Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC(=O)N1CC2=CSC(=C2)CN3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCCC(=O)N1CC2=CSC(=C2)CN3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C31H37N3O4S/c1-2-37-31(36)28-13-7-9-15-30(35)34(28)21-24-20-26(39-23-24)22-32-16-18-33(19-17-32)27-12-6-8-14-29(27)38-25-10-4-3-5-11-25/h3-6,8,10-12,14,20,23,28H,2,7,9,13,15-19,21-22H2,1H3