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

Systemtic Name: methyl 6-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H24N4O3/c1-15-5-3-6-17(22-15)14-23-9-4-10-24(12-11-23)19(25)18-8-7-16(13-21-18)20(26)27-2/h3,5-8,13H,4,9-12,14H2,1-2H3