[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone; ethanedioic acid

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone; ethanedioic acid Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-(3-pyridyl)methanone; oxalic acid CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone; oxalic acid IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone; oxalic acid Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazino]-(3-pyridyl)methanone; oxalic acid Formula: C20H22BrN3O6 MolecularWeight: 480.30918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20BrN3O2.C2H2O4/c1-24-17-5-4-16(19)11-15(17)13-21-7-9-22(10-8-21)18(23)14-3-2-6-20-12-14;3-1(4)2(5)6/h2-6,11-12H,7-10,13H2,1H3;(H,3,4)(H,5,6)