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

Systemtic Name: N4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(1-cyclohexyltetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(1-cyclohexyl-5-tetrazolyl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(1-cyclohexyltetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(1-cyclohexyltetrazol-5-yl)-(2-nitrophenyl)methyl]amine Formula: C20H29N7O2 MolecularWeight: 399.48996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)C(C3=CC=CC=C3[N+](=O)[O-])NC4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)C(C3=CC=CC=C3[N+](=O)[O-])NC4CCC(CC4)N

InChI

InChI=1S/C20H29N7O2/c21-14-10-12-15(13-11-14)22-19(17-8-4-5-9-18(17)27(28)29)20-23-24-25-26(20)16-6-2-1-3-7-16/h4-5,8-9,14-16,19,22H,1-3,6-7,10-13,21H2