2-[2-(4-bromophenyl)ethynyl]-5-butoxy-N1,N1,N4,N4-tetraethyl-benzene-1,4-diamine

Systemtic Name: 2-[2-(4-bromophenyl)ethynyl]-5-butoxy-N1,N1,N4,N4-tetraethyl-benzene-1,4-diamine Openeye Name: 2-[2-(4-bromophenyl)ethynyl]-5-butoxy-N1,N1,N4,N4-tetraethyl-benzene-1,4-diamine CAS Name: 2-[2-(4-bromophenyl)ethynyl]-5-butoxy-N1,N1,N4,N4-tetraethylbenzene-1,4-diamine IUPAC Name: 2-[2-(4-bromophenyl)ethynyl]-5-butoxy-1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine Traditional Name: [2-[2-(4-bromophenyl)ethynyl]-5-butoxy-4-(diethylamino)phenyl]-diethyl-amine Formula: C26H35BrN2O MolecularWeight: 471.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)N(CC)CC)C#CC2=CC=C(C=C2)Br)N(CC)CC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)N(CC)CC)C#CC2=CC=C(C=C2)Br)N(CC)CC

InChI

InChI=1S/C26H35BrN2O/c1-6-11-18-30-26-20-24(28(7-2)8-3)22(19-25(26)29(9-4)10-5)15-12-21-13-16-23(27)17-14-21/h13-14,16-17,19-20H,6-11,18H2,1-5H3