[1-(2-oxidanylidenepyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-butylcarbamate dihydrochloride

Systemtic Name: [1-(2-oxidanylidenepyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-butylcarbamate dihydrochloride Openeye Name: [1-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethyl] N-butylcarbamate dihydrochloride CAS Name: N-butylcarbamic acid [1-(2-oxo-1-pyrrolidinyl)-3-(4-phenyl-1-piperazinyl)propan-2-yl] ester dihydrochloride IUPAC Name: [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-butylcarbamate dihydrochloride Traditional Name: N-butylcarbamic acid [1-[(2-ketopyrrolidino)methyl]-2-(4-phenylpiperazino)ethyl] ester dihydrochloride Formula: C22H36Cl2N4O3 MolecularWeight: 475.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)CN3CCCC3=O.Cl.Cl

Isomeric SMILES

CCCCNC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)CN3CCCC3=O.Cl.Cl

InChI

InChI=1S/C22H34N4O3.2ClH/c1-2-3-11-23-22(28)29-20(18-26-12-7-10-21(26)27)17-24-13-15-25(16-14-24)19-8-5-4-6-9-19;;/h4-6,8-9,20H,2-3,7,10-18H2,1H3,(H,23,28);2*1H