methyl 2-(3-oxidanylidene-1-quinolin-2-ylcarbonyl-piperazin-2-yl)ethanoate

Systemtic Name: methyl 2-(3-oxidanylidene-1-quinolin-2-ylcarbonyl-piperazin-2-yl)ethanoate Openeye Name: methyl 2-[3-oxo-1-(quinoline-2-carbonyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo(2-quinolinyl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(quinoline-2-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-quinaldoyl-piperazin-2-yl)acetic acid methyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H17N3O4/c1-24-15(21)10-14-16(22)18-8-9-20(14)17(23)13-7-6-11-4-2-3-5-12(11)19-13/h2-7,14H,8-10H2,1H3,(H,18,22)