methyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: methyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: methyl 3-[2-[(3-chloro-4-methoxy-phenyl)methylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-[(3-chloro-4-methoxyphenyl)methylamino]-2-oxoethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(3-chloro-4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-[(3-chloro-4-methoxy-benzyl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid methyl ester Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)OC)Cl

InChI

InChI=1S/C16H22ClN3O4/c1-23-14-4-3-11(7-13(14)17)9-19-15(21)8-12-10-20(6-5-18-12)16(22)24-2/h3-4,7,12,18H,5-6,8-10H2,1-2H3,(H,19,21)