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

Systemtic Name: 2-azanyl-1-(3,5-dimethylphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3,5-dimethylphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3,5-dimethylphenyl)-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3,5-dimethylphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3,5-dimethylphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC(=C4)C)C)N

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC(=C4)C)C)N

InChI

InChI=1S/C26H31N5O/c1-4-5-6-7-10-13-28-26(32)22-23-25(30-21-12-9-8-11-20(21)29-23)31(24(22)27)19-15-17(2)14-18(3)16-19/h8-9,11-12,14-16H,4-7,10,13,27H2,1-3H3,(H,28,32)