methyl 3,6-bis(oxidanylidene)-4-(phenylmethyl)-2-prop-2-ynyl-piperazine-1-carboxylate

Systemtic Name: methyl 3,6-bis(oxidanylidene)-4-(phenylmethyl)-2-prop-2-ynyl-piperazine-1-carboxylate Openeye Name: methyl 4-benzyl-3,6-dioxo-2-prop-2-ynyl-piperazine-1-carboxylate CAS Name: 3,6-dioxo-4-(phenylmethyl)-2-prop-2-ynyl-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-3,6-dioxo-2-prop-2-ynylpiperazine-1-carboxylate Traditional Name: 4-benzyl-3,6-diketo-2-propargyl-piperazine-1-carboxylic acid methyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(C(=O)N(CC1=O)CC2=CC=CC=C2)CC#C

Isomeric SMILES

COC(=O)N1C(C(=O)N(CC1=O)CC2=CC=CC=C2)CC#C

InChI

InChI=1S/C16H16N2O4/c1-3-7-13-15(20)17(10-12-8-5-4-6-9-12)11-14(19)18(13)16(21)22-2/h1,4-6,8-9,13H,7,10-11H2,2H3