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1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]azepane

1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]azepane

Systemtic Name:1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]azepane
Openeye Name:1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]azepane
CAS Name:1-[(1-cyclohexyl-5-tetrazolyl)-(3,4-dimethoxyphenyl)methyl]azepane
IUPAC Name:1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]azepane
Traditional Name:1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]azepane
Formula: C22H33N5O2
MolecularWeight: 399.52972
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCCC3)N4CCCCCC4)OC


Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCCC3)N4CCCCCC4)OC


InChI

InChI=1S/C22H33N5O2/c1-28-19-13-12-17(16-20(19)29-2)21(26-14-8-3-4-9-15-26)22-23-24-25-27(22)18-10-6-5-7-11-18/h12-13,16,18,21H,3-11,14-15H2,1-2H3


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