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

Systemtic Name: methyl 6-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H23N5O3/c1-21-9-6-19-16(21)13-22-7-3-8-23(11-10-22)17(24)15-5-4-14(12-20-15)18(25)26-2/h4-6,9,12H,3,7-8,10-11,13H2,1-2H3