[3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)CN2CCCN(CC2)CC3=CSC=C3

InChI

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