5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one

Systemtic Name: 5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one Openeye Name: 5-[benzothiophen-2-ylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one CAS Name: 5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]-2-azepanone IUPAC Name: 5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one Traditional Name: 5-[benzothiophen-2-ylmethyl(methyl)amino]-1-p-anisyl-azepan-2-one Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N2O2S/c1-25(17-22-15-19-5-3-4-6-23(19)29-22)20-9-12-24(27)26(14-13-20)16-18-7-10-21(28-2)11-8-18/h3-8,10-11,15,20H,9,12-14,16-17H2,1-2H3