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

Systemtic Name: 2-azanyl-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-[(E)-veratrylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O3/c1-4-5-6-7-10-15-29-27(34)23-24-26(32-20-12-9-8-11-19(20)31-24)33(25(23)28)30-17-18-13-14-21(35-2)22(16-18)36-3/h8-9,11-14,16-17H,4-7,10,15,28H2,1-3H3,(H,29,34)/b30-17+