methyl 2-[[4-(phenylmethyl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(phenylmethyl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-benzyl-1-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]acetate CAS Name: 2-[[oxo-[1-[oxo(3-pyridinyl)methyl]-4-(phenylmethyl)-2-piperazinyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-benzyl-1-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]acetate Traditional Name: 2-[(4-benzyl-1-nicotinoyl-piperazine-2-carbonyl)amino]acetic acid methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)CC3=CC=CC=C3

InChI

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