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

Systemtic Name: 3-cyclopentyl-1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]propan-1-one; ethanedioic acid Openeye Name: 3-cyclopentyl-1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]propan-1-one; oxalic acid CAS Name: 3-cyclopentyl-1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-1-propanone; oxalic acid IUPAC Name: 3-cyclopentyl-1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]propan-1-one; oxalic acid Traditional Name: 3-cyclopentyl-1-[4-(1H-indol-3-ylmethyl)piperazino]propan-1-one; oxalic acid Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29N3O.C2H2O4/c25-21(10-9-17-5-1-2-6-17)24-13-11-23(12-14-24)16-18-15-22-20-8-4-3-7-19(18)20;3-1(4)2(5)6/h3-4,7-8,15,17,22H,1-2,5-6,9-14,16H2;(H,3,4)(H,5,6)