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

Systemtic Name: 1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-methylphenyl)methyl]azepane Openeye Name: 1-[(1-cyclohexyltetrazol-5-yl)-(p-tolyl)methyl]azepane CAS Name: 1-[(1-cyclohexyl-5-tetrazolyl)-(4-methylphenyl)methyl]azepane IUPAC Name: 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]azepane Traditional Name: 1-[(1-cyclohexyltetrazol-5-yl)-(p-tolyl)methyl]azepane Formula: C21H31N5 MolecularWeight: 353.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NN=NN2C3CCCCC3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NN=NN2C3CCCCC3)N4CCCCCC4

InChI

InChI=1S/C21H31N5/c1-17-11-13-18(14-12-17)20(25-15-7-2-3-8-16-25)21-22-23-24-26(21)19-9-5-4-6-10-19/h11-14,19-20H,2-10,15-16H2,1H3