methyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 2-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 2-[[4-(3-thenyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H24N2O2S/c1-23-19(22)18-6-3-2-5-17(18)14-21-9-4-8-20(10-11-21)13-16-7-12-24-15-16/h2-3,5-7,12,15H,4,8-11,13-14H2,1H3