2-azanyl-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-N-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-hexyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-hexylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-hexyl-1-[(E)-veratrylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O3/c1-4-5-6-9-14-28-26(33)22-23-25(31-19-11-8-7-10-18(19)30-23)32(24(22)27)29-16-17-12-13-20(34-2)21(15-17)35-3/h7-8,10-13,15-16H,4-6,9,14,27H2,1-3H3,(H,28,33)/b29-16+