1-[(1S,3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-5,6-dimethyl-benzotriazole

Systemtic Name: 1-[(1S,3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-5,6-dimethyl-benzotriazole Openeye Name: 1-[(1S,3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-5,6-dimethyl-benzotriazole CAS Name: 1-[(1S,3R)-3-[4-(2-methoxyphenyl)-1-piperazinyl]cyclohexyl]-5,6-dimethylbenzotriazole IUPAC Name: 1-[(1S,3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-5,6-dimethylbenzotriazole Traditional Name: 1-[(1S,3R)-3-[4-(2-methoxyphenyl)piperazino]cyclohexyl]-5,6-dimethyl-benzotriazole Formula: C25H33N5O MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(N=N2)C3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N(N=N2)[C@H]3CCC[C@H](C3)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C25H33N5O/c1-18-15-22-24(16-19(18)2)30(27-26-22)21-8-6-7-20(17-21)28-11-13-29(14-12-28)23-9-4-5-10-25(23)31-3/h4-5,9-10,15-16,20-21H,6-8,11-14,17H2,1-3H3/t20-,21+/m1/s1