ethanedioic acid; N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide; hydrate

Systemtic Name: ethanedioic acid; N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide; hydrate Openeye Name: N-[2-(4-isopropylpiperazin-1-yl)-1-methyl-ethyl]-N-phenyl-propanamide; oxalic acid; hydrate CAS Name: oxalic acid; N-phenyl-N-[1-(4-propan-2-yl-1-piperazinyl)propan-2-yl]propanamide; hydrate IUPAC Name: oxalic acid; N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide; hydrate Traditional Name: N-[2-(4-isopropylpiperazino)-1-methyl-ethyl]-N-phenyl-propionamide; oxalic acid; hydrate Formula: C21H35N3O6 MolecularWeight: 425.5191

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C19H31N3O.C2H2O4.H2O/c1-5-19(23)22(18-9-7-6-8-10-18)17(4)15-20-11-13-21(14-12-20)16(2)3;3-1(4)2(5)6;/h6-10,16-17H,5,11-15H2,1-4H3;(H,3,4)(H,5,6);1H2