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

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(4-methylbenzyl)-1-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC6=C(C=C5)OCO6)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C27H23N5O3/c1-16-6-8-17(9-7-16)13-29-27(33)23-24-26(31-20-5-3-2-4-19(20)30-24)32(25(23)28)14-18-10-11-21-22(12-18)35-15-34-21/h2-12H,13-15,28H2,1H3,(H,29,33)