methyl 6-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H22N4O4/c1-13-10-15(20-26-13)12-21-6-3-7-22(9-8-21)17(23)16-5-4-14(11-19-16)18(24)25-2/h4-5,10-11H,3,6-9,12H2,1-2H3