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

Systemtic Name: N-methyl-5-oxidanylidene-1-[4-[4-(phenylmethyl)piperazin-1-yl]but-2-ynyl]pyrrolidine-2-carboxamide Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)but-2-ynyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-methyl-5-oxo-1-[4-[4-(phenylmethyl)-1-piperazinyl]but-2-ynyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)but-2-ynyl]-N-methyl-5-oxopyrrolidine-2-carboxamide Traditional Name: 1-[4-(4-benzylpiperazino)but-2-ynyl]-5-keto-N-methyl-pyrrolidine-2-carboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-22-21(27)19-9-10-20(26)25(19)12-6-5-11-23-13-15-24(16-14-23)17-18-7-3-2-4-8-18/h2-4,7-8,19H,9-17H2,1H3,(H,22,27)