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

Systemtic Name: 2-azanyl-N-heptyl-1-[(E)-(phenylmethylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-benzylideneamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-heptyl-1-[(E)-(phenylmethylene)amino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-benzylideneamino]-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(E)-benzalamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O/c1-2-3-4-5-11-16-27-25(32)21-22-24(30-20-15-10-9-14-19(20)29-22)31(23(21)26)28-17-18-12-7-6-8-13-18/h6-10,12-15,17H,2-5,11,16,26H2,1H3,(H,27,32)/b28-17+