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

Systemtic Name: N4-[(1-butyl-1,2,3,4-tetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(1-butyltetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(1-butyl-5-tetrazolyl)-(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(1-butyltetrazol-5-yl)-(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(1-butyltetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]amine Formula: C19H29N7O3 MolecularWeight: 403.47866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)[N+](=O)[O-])NC3CCC(CC3)N

Isomeric SMILES

CCCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)[N+](=O)[O-])NC3CCC(CC3)N

InChI

InChI=1S/C19H29N7O3/c1-3-4-11-25-19(22-23-24-25)18(21-15-8-6-14(20)7-9-15)13-5-10-17(29-2)16(12-13)26(27)28/h5,10,12,14-15,18,21H,3-4,6-9,11,20H2,1-2H3