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

Systemtic Name: N4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(1-cyclohexyltetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(1-cyclohexyl-5-tetrazolyl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(1-cyclohexyltetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-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-])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/c21-15-9-11-16(12-10-15)22-19(14-5-4-8-18(13-14)27(28)29)20-23-24-25-26(20)17-6-2-1-3-7-17/h4-5,8,13,15-17,19,22H,1-3,6-7,9-12,21H2