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

Systemtic Name: 2-azanyl-N-butyl-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-butyl-1-[(E)-3-pyridylmethyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-[(E)-3-pyridinylmethylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butyl-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-butyl-1-[(E)-3-pyridylmethyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CN=CC=C4)N

Isomeric SMILES

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CN=CC=C4)N

InChI

InChI=1S/C21H21N7O/c1-2-3-11-24-21(29)17-18-20(27-16-9-5-4-8-15(16)26-18)28(19(17)22)25-13-14-7-6-10-23-12-14/h4-10,12-13H,2-3,11,22H2,1H3,(H,24,29)/b25-13+