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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4

InChI

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