2-azanyl-1-(2,5-dimethylphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(2,5-dimethylphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(2,5-dimethylphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(2,5-dimethylphenyl)-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(2,5-dimethylphenyl)-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(2,5-dimethylphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

InChI

InChI=1S/C27H25N5O/c1-17-12-13-18(2)22(16-17)32-25(28)23(27(33)29-15-14-19-8-4-3-5-9-19)24-26(32)31-21-11-7-6-10-20(21)30-24/h3-13,16H,14-15,28H2,1-2H3,(H,29,33)