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

Systemtic Name: 2-azanyl-N-butyl-1-[(E)-(phenylmethylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-benzylideneamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-[(E)-(phenylmethylene)amino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-benzylideneamino]-N-butylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(E)-benzalamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O/c1-2-3-13-24-22(29)18-19-21(27-17-12-8-7-11-16(17)26-19)28(20(18)23)25-14-15-9-5-4-6-10-15/h4-12,14H,2-3,13,23H2,1H3,(H,24,29)/b25-14+