2-azanyl-N-(2,5-dimethylphenyl)-1-[(E)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-(2,5-dimethylphenyl)-1-[(E)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(2,5-dimethylphenyl)-1-[(E)-4-pyridylmethyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(2,5-dimethylphenyl)-1-[(E)-pyridin-4-ylmethylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(2,5-dimethylphenyl)-1-[(E)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(2,5-dimethylphenyl)-1-[(E)-4-pyridylmethyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H21N7O MolecularWeight: 435.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=NC=C5)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)/N=C/C5=CC=NC=C5)N

InChI

InChI=1S/C25H21N7O/c1-15-7-8-16(2)20(13-15)31-25(33)21-22-24(30-19-6-4-3-5-18(19)29-22)32(23(21)26)28-14-17-9-11-27-12-10-17/h3-14H,26H2,1-2H3,(H,31,33)/b28-14+