methyl 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H22N4O3S/c1-13-20-15(12-26-13)11-21-6-3-7-22(9-8-21)17(23)16-5-4-14(10-19-16)18(24)25-2/h4-5,10,12H,3,6-9,11H2,1-2H3