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

Systemtic Name: 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-homoveratryl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C28H35N5O3/c1-4-5-6-7-10-16-30-28(34)24-25-27(32-21-12-9-8-11-20(21)31-25)33(26(24)29)17-15-19-13-14-22(35-2)23(18-19)36-3/h8-9,11-14,18H,4-7,10,15-17,29H2,1-3H3,(H,30,34)