2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N)OC

InChI

InChI=1S/C27H23N5O5/c1-34-19-10-8-16(12-21(19)35-2)32-25(28)23(24-26(32)31-18-6-4-3-5-17(18)30-24)27(33)29-13-15-7-9-20-22(11-15)37-14-36-20/h3-12H,13-14,28H2,1-2H3,(H,29,33)