1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone; ethanedioic acid

Systemtic Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-(1-cyclohex-3-enylmethyl)-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N2O.C2H2O4/c22-19(15-17-7-3-1-4-8-17)21-13-11-20(12-14-21)16-18-9-5-2-6-10-18;3-1(4)2(5)6/h1-5,7-8,18H,6,9-16H2;(H,3,4)(H,5,6)