3-cyclopentyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one; ethanedioic acid

Systemtic Name: 3-cyclopentyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one; ethanedioic acid Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-cyclopentyl-propan-1-one; oxalic acid CAS Name: 3-cyclopentyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone; oxalic acid IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-cyclopentylpropan-1-one; oxalic acid Traditional Name: 1-(4-benzylpiperazino)-3-cyclopentyl-propan-1-one; oxalic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O.C2H2O4/c22-19(11-10-17-6-4-5-7-17)21-14-12-20(13-15-21)16-18-8-2-1-3-9-18;3-1(4)2(5)6/h1-3,8-9,17H,4-7,10-16H2;(H,3,4)(H,5,6)