2-[4-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone; ethanedioic acid

Systemtic Name: 2-[4-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone; ethanedioic acid Openeye Name: 2-[4-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone; oxalic acid CAS Name: 2-[4-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone; oxalic acid IUPAC Name: 2-[4-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone; oxalic acid Traditional Name: 2-[4-(5-bromo-2-propargyloxy-benzyl)piperazino]-1-pyrrolidino-ethanone; oxalic acid Formula: C22H28BrN3O6 MolecularWeight: 510.37822

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC(=O)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC(=O)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26BrN3O2.C2H2O4/c1-2-13-26-19-6-5-18(21)14-17(19)15-22-9-11-23(12-10-22)16-20(25)24-7-3-4-8-24;3-1(4)2(5)6/h1,5-6,14H,3-4,7-13,15-16H2;(H,3,4)(H,5,6)