N-(4-bromophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide; ethanedioic acid

Systemtic Name: N-(4-bromophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide; ethanedioic acid Openeye Name: N-(4-bromophenyl)-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: N-(4-bromophenyl)-2-[4-(2-oxolanylmethyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(4-bromophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide; oxalic acid Traditional Name: N-(4-bromophenyl)-2-[4-(tetrahydrofurfuryl)piperazino]propionamide; oxalic acid Formula: C22H30BrN3O10 MolecularWeight: 576.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26BrN3O2.2C2H2O4/c1-14(18(23)20-16-6-4-15(19)5-7-16)22-10-8-21(9-11-22)13-17-3-2-12-24-17;2*3-1(4)2(5)6/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23);2*(H,3,4)(H,5,6)