methyl 5-oxidanylidene-1-[4-[4-(phenylmethyl)piperazin-1-yl]but-2-ynyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 5-oxidanylidene-1-[4-[4-(phenylmethyl)piperazin-1-yl]but-2-ynyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[4-(4-benzylpiperazin-1-yl)but-2-ynyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: 5-oxo-1-[4-[4-(phenylmethyl)-1-piperazinyl]but-2-ynyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-benzylpiperazin-1-yl)but-2-ynyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-[4-(4-benzylpiperazino)but-2-ynyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)N1CC#CCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCC(=O)N1CC#CCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-27-21(26)19-9-10-20(25)24(19)12-6-5-11-22-13-15-23(16-14-22)17-18-7-3-2-4-8-18/h2-4,7-8,19H,9-17H2,1H3