N2-(3,4-dimethoxyphenyl)-3-phenyl-quinoxaline-2,5,7-triamine

Systemtic Name: N2-(3,4-dimethoxyphenyl)-3-phenyl-quinoxaline-2,5,7-triamine Openeye Name: N2-(3,4-dimethoxyphenyl)-3-phenyl-quinoxaline-2,5,7-triamine CAS Name: N2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline-2,5,7-triamine IUPAC Name: 2-N-(3,4-dimethoxyphenyl)-3-phenylquinoxaline-2,5,7-triamine Traditional Name: (5,7-diamino-3-phenyl-quinoxalin-2-yl)-(3,4-dimethoxyphenyl)amine Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC

InChI

InChI=1S/C22H21N5O2/c1-28-18-9-8-15(12-19(18)29-2)25-22-20(13-6-4-3-5-7-13)27-21-16(24)10-14(23)11-17(21)26-22/h3-12H,23-24H2,1-2H3,(H,25,26)