methyl 2-[3-oxidanylidene-1-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(1-benzylpyrazole-4-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1-benzylpyrazole-4-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(1-benzylpyrazole-4-carbonyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4/c1-26-16(23)9-15-17(24)19-7-8-22(15)18(25)14-10-20-21(12-14)11-13-5-3-2-4-6-13/h2-6,10,12,15H,7-9,11H2,1H3,(H,19,24)