3-phenyl-7-[[(3,4,5-trimethoxy-2-prop-2-ynyl-phenyl)amino]methyl]quinoxalin-2-amine

Systemtic Name: 3-phenyl-7-[[(3,4,5-trimethoxy-2-prop-2-ynyl-phenyl)amino]methyl]quinoxalin-2-amine Openeye Name: 3-phenyl-7-[(3,4,5-trimethoxy-2-prop-2-ynyl-anilino)methyl]quinoxalin-2-amine CAS Name: 3-phenyl-7-[(3,4,5-trimethoxy-2-prop-2-ynylanilino)methyl]-2-quinoxalinamine IUPAC Name: 3-phenyl-7-[(3,4,5-trimethoxy-2-prop-2-ynylanilino)methyl]quinoxalin-2-amine Traditional Name: (3-amino-2-phenyl-quinoxalin-6-yl)methyl-(3,4,5-trimethoxy-2-propargyl-phenyl)amine Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4)CC#C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4)CC#C)OC)OC

InChI

InChI=1S/C27H26N4O3/c1-5-9-19-21(15-23(32-2)26(34-4)25(19)33-3)29-16-17-12-13-20-22(14-17)31-27(28)24(30-20)18-10-7-6-8-11-18/h1,6-8,10-15,29H,9,16H2,2-4H3,(H2,28,31)