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

Systemtic Name: methyl 6-[[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-31-23(30)19-8-9-20(25-16-19)22(29)27-13-5-12-26(14-15-27)17-21(28)24-11-10-18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,24,28)