methyl 6-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(3-thienylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-(3-thenyl)-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H21N3O3S/c1-24-18(23)15-3-4-16(19-11-15)17(22)21-7-2-6-20(8-9-21)12-14-5-10-25-13-14/h3-5,10-11,13H,2,6-9,12H2,1H3