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

Systemtic Name: methyl 2-[3-oxidanylidene-1-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[4-(1-pyrazolyl)phenyl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-pyrazol-1-ylbenzyl)piperazin-2-yl]acetic acid methyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H20N4O3/c1-24-16(22)11-15-17(23)18-8-10-20(15)12-13-3-5-14(6-4-13)21-9-2-7-19-21/h2-7,9,15H,8,10-12H2,1H3,(H,18,23)