7-methyl-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one

Systemtic Name: 7-methyl-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one Openeye Name: 7-methyl-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-3-thienyl]methyl]azepan-2-one CAS Name: 7-methyl-1-[[5-[[4-(2-phenoxyphenyl)-1-piperazinyl]methyl]-3-thiophenyl]methyl]-2-azepanone IUPAC Name: 7-methyl-1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one Traditional Name: 7-methyl-1-[[5-[[4-(2-phenoxyphenyl)piperazino]methyl]-3-thienyl]methyl]azepan-2-one Formula: C29H35N3O2S MolecularWeight: 489.6721

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(=O)N1CC2=CSC(=C2)CN3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

CC1CCCCC(=O)N1CC2=CSC(=C2)CN3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C29H35N3O2S/c1-23-9-5-8-14-29(33)32(23)20-24-19-26(35-22-24)21-30-15-17-31(18-16-30)27-12-6-7-13-28(27)34-25-10-3-2-4-11-25/h2-4,6-7,10-13,19,22-23H,5,8-9,14-18,20-21H2,1H3