[2-(methylamino)-2-oxidanylidene-ethyl] 4-[5-(4-methoxyphenyl)pyridin-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-[5-(4-methoxyphenyl)pyridin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-[5-(4-methoxyphenyl)-2-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[5-(4-methoxyphenyl)-2-pyridinyl]-1,4-diazepane-1-carboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-[5-(4-methoxyphenyl)pyridin-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-(4-methoxyphenyl)-2-pyridyl]-1,4-diazepane-1-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CNC(=O)COC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N4O4/c1-22-20(26)15-29-21(27)25-11-3-10-24(12-13-25)19-9-6-17(14-23-19)16-4-7-18(28-2)8-5-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,26)