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

Systemtic Name: N4-[(3-bromanyl-4-methoxy-phenyl)-(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(3-bromo-4-methoxy-phenyl)-(1-butyltetrazol-5-yl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(3-bromo-4-methoxyphenyl)-(1-butyl-5-tetrazolyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(3-bromo-4-methoxyphenyl)-(1-butyltetrazol-5-yl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(3-bromo-4-methoxy-phenyl)-(1-butyltetrazol-5-yl)methyl]amine Formula: C19H29BrN6O MolecularWeight: 437.37716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)Br)NC3CCC(CC3)N

Isomeric SMILES

CCCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)Br)NC3CCC(CC3)N

InChI

InChI=1S/C19H29BrN6O/c1-3-4-11-26-19(23-24-25-26)18(22-15-8-6-14(21)7-9-15)13-5-10-17(27-2)16(20)12-13/h5,10,12,14-15,18,22H,3-4,6-9,11,21H2,1-2H3