5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-3-(diphenylmethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-3-(diphenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 5-[(4-cyclopentyl-1-piperazin-4-iumyl)methyl]-3-(diphenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)25-26-23(30-27-25)19-28-15-17-29(18-16-28)22-13-7-8-14-22/h1-6,9-12,22,24H,7-8,13-19H2/p+1