N4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(1-cyclohexyltetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(1-cyclohexyl-5-tetrazolyl)-(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(1-cyclohexyltetrazol-5-yl)-(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(1-cyclohexyltetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]amine Formula: C21H31N7O3 MolecularWeight: 429.51594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCCC3)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCCC3)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H31N7O3/c1-31-19-12-7-14(13-18(19)28(29)30)20(23-16-10-8-15(22)9-11-16)21-24-25-26-27(21)17-5-3-2-4-6-17/h7,12-13,15-17,20,23H,2-6,8-11,22H2,1H3