5-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-3-pyridazin-4-yl-1,2,4-oxadiazole

Systemtic Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-3-pyridazin-4-yl-1,2,4-oxadiazole Openeye Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidyl]-3-pyridazin-4-yl-1,2,4-oxadiazole CAS Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl]-3-(4-pyridazinyl)-1,2,4-oxadiazole IUPAC Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-3-pyridazin-4-yl-1,2,4-oxadiazole Traditional Name: 5-(1-homoveratryl-4-piperidyl)-3-pyridazin-4-yl-1,2,4-oxadiazole Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(CC2)C3=NC(=NO3)C4=CN=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCC(CC2)C3=NC(=NO3)C4=CN=NC=C4)OC

InChI

InChI=1S/C21H25N5O3/c1-27-18-4-3-15(13-19(18)28-2)6-10-26-11-7-16(8-12-26)21-24-20(25-29-21)17-5-9-22-23-14-17/h3-5,9,13-14,16H,6-8,10-12H2,1-2H3