N2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-prop-2-enoxyphenyl)methyl]cyclohexane-1,2-diamine

Systemtic Name: N2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-prop-2-enoxyphenyl)methyl]cyclohexane-1,2-diamine Openeye Name: N2-[(4-allyloxyphenyl)-(1-tert-butyltetrazol-5-yl)methyl]cyclohexane-1,2-diamine CAS Name: N2-[(1-tert-butyl-5-tetrazolyl)-(4-prop-2-enoxyphenyl)methyl]cyclohexane-1,2-diamine IUPAC Name: 2-N-[(1-tert-butyltetrazol-5-yl)-(4-prop-2-enoxyphenyl)methyl]cyclohexane-1,2-diamine Traditional Name: [(4-allyloxyphenyl)-(1-tert-butyltetrazol-5-yl)methyl]-(2-aminocyclohexyl)amine Formula: C21H32N6O MolecularWeight: 384.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)OCC=C)NC3CCCCC3N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)OCC=C)NC3CCCCC3N

InChI

InChI=1S/C21H32N6O/c1-5-14-28-16-12-10-15(11-13-16)19(23-18-9-7-6-8-17(18)22)20-24-25-26-27(20)21(2,3)4/h5,10-13,17-19,23H,1,6-9,14,22H2,2-4H3