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

Systemtic Name: 2-azanyl-1-(4-butoxyphenyl)-N-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butoxyphenyl)-N-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butoxyphenyl)-N-hexyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butoxyphenyl)-N-hexylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butoxyphenyl)-N-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O2/c1-3-5-7-10-17-29-27(33)23-24-26(31-22-12-9-8-11-21(22)30-24)32(25(23)28)19-13-15-20(16-14-19)34-18-6-4-2/h8-9,11-16H,3-7,10,17-18,28H2,1-2H3,(H,29,33)