5-chloranyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydrobenzotriazole

Systemtic Name: 5-chloranyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydrobenzotriazole Openeye Name: 5-chloro-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydrobenzotriazole CAS Name: 5-chloro-2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1,3-dihydrobenzotriazole IUPAC Name: 5-chloro-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydrobenzotriazole Traditional Name: 5-chloro-2-[4-[4-(2-methoxyphenyl)piperazino]butyl]-1,3-dihydrobenzotriazole Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCN3NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H28ClN5O/c1-28-21-7-3-2-6-20(21)26-14-12-25(13-15-26)10-4-5-11-27-23-18-9-8-17(22)16-19(18)24-27/h2-3,6-9,16,23-24H,4-5,10-15H2,1H3