1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-oxidanylidene-pyrrolidine-2-carboxamide dihydrate

Systemtic Name: 1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-oxidanylidene-pyrrolidine-2-carboxamide dihydrate Openeye Name: 1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-oxo-pyrrolidine-2-carboxamide dihydrate CAS Name: 1-[4-(4-methyl-1-piperazinyl)but-2-ynyl]-5-oxo-2-pyrrolidinecarboxamide dihydrate IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-oxopyrrolidine-2-carboxamide dihydrate Traditional Name: 5-keto-1-[4-(4-methylpiperazino)but-2-ynyl]pyrrolidine-2-carboxamide dihydrate Formula: C14H26N4O4 MolecularWeight: 314.38064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CCN2C(CCC2=O)C(=O)N.O.O

Isomeric SMILES

CN1CCN(CC1)CC#CCN2C(CCC2=O)C(=O)N.O.O

InChI

InChI=1S/C14H22N4O2.2H2O/c1-16-8-10-17(11-9-16)6-2-3-7-18-12(14(15)20)4-5-13(18)19;;/h12H,4-11H2,1H3,(H2,15,20);2*1H2