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

Systemtic Name: 2-azanyl-1-(4-octoxyphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-octoxyphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-octoxyphenyl)-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-octoxyphenyl)-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-octoxyphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C33H37N5O2 MolecularWeight: 535.67918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

InChI

InChI=1S/C33H37N5O2/c1-2-3-4-5-6-12-23-40-26-19-17-25(18-20-26)38-31(34)29(33(39)35-22-21-24-13-8-7-9-14-24)30-32(38)37-28-16-11-10-15-27(28)36-30/h7-11,13-20H,2-6,12,21-23,34H2,1H3,(H,35,39)