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

Systemtic Name: 2-azanyl-1-(4-octoxyphenyl)-N-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: N-allyl-2-amino-1-(4-octoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-octoxyphenyl)-N-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-octoxyphenyl)-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: N-allyl-2-amino-1-(4-octoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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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)NCC=C)N

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O2/c1-3-5-6-7-8-11-19-35-21-16-14-20(15-17-21)33-26(29)24(28(34)30-18-4-2)25-27(33)32-23-13-10-9-12-22(23)31-25/h4,9-10,12-17H,2-3,5-8,11,18-19,29H2,1H3,(H,30,34)