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

Systemtic Name: 2-[(1R,3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-5,6-dimethyl-benzotriazole Openeye Name: 2-[(1R,3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-5,6-dimethyl-benzotriazole CAS Name: 2-[(1R,3R)-3-[4-(2-methoxyphenyl)-1-piperazinyl]cyclohexyl]-5,6-dimethylbenzotriazole IUPAC Name: 2-[(1R,3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-5,6-dimethylbenzotriazole Traditional Name: 2-[(1R,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=NN(N=C2C=C1C)C3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1C)[C@@H]3CCC[C@H](C3)N4CCN(CC4)C5=CC=CC=C5OC

InChI

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