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

Systemtic Name: methyl 6-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(2-anilino-2-oxo-ethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(2-anilino-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-(2-anilino-2-keto-ethyl)-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-29-21(28)16-8-9-18(22-14-16)20(27)25-11-5-10-24(12-13-25)15-19(26)23-17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,26)