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

Systemtic Name: N4-[1,3-benzodioxol-5-yl-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[1,3-benzodioxol-5-yl-(1-cyclohexyltetrazol-5-yl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[1,3-benzodioxol-5-yl-(1-cyclohexyl-5-tetrazolyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[1,3-benzodioxol-5-yl-(1-cyclohexyltetrazol-5-yl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[1,3-benzodioxol-5-yl-(1-cyclohexyltetrazol-5-yl)methyl]amine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)C(C3=CC4=C(C=C3)OCO4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)C(C3=CC4=C(C=C3)OCO4)NC5CCC(CC5)N

InChI

InChI=1S/C21H30N6O2/c22-15-7-9-16(10-8-15)23-20(14-6-11-18-19(12-14)29-13-28-18)21-24-25-26-27(21)17-4-2-1-3-5-17/h6,11-12,15-17,20,23H,1-5,7-10,13,22H2