N2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,2-diamine

Systemtic Name: N2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,2-diamine Openeye Name: N2-[(1-cyclohexyltetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,2-diamine CAS Name: N2-[(1-cyclohexyl-5-tetrazolyl)-(3-nitrophenyl)methyl]cyclohexane-1,2-diamine IUPAC Name: 2-N-[(1-cyclohexyltetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,2-diamine Traditional Name: (2-aminocyclohexyl)-[(1-cyclohexyltetrazol-5-yl)-(3-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-])NC4CCCCC4N

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)C(C3=CC(=CC=C3)[N+](=O)[O-])NC4CCCCC4N

InChI

InChI=1S/C20H29N7O2/c21-17-11-4-5-12-18(17)22-19(14-7-6-10-16(13-14)27(28)29)20-23-24-25-26(20)15-8-2-1-3-9-15/h6-7,10,13,15,17-19,22H,1-5,8-9,11-12,21H2