methyl 4-(3-phenylpropanoyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-(3-phenylpropanoyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl 4-(3-phenylpropanoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: 4-(1-oxo-3-phenylpropyl)-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-phenylpropanoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: 4-hydrocinnamoyl-1-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-28-21(27)18-15-23(19(25)10-9-16-6-3-2-4-7-16)12-13-24(18)20(26)17-8-5-11-22-14-17/h2-8,11,14,18H,9-10,12-13,15H2,1H3