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

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-p-anisyl-N-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C27H23N5O4/c1-34-18-9-6-16(7-10-18)14-32-25(28)23(24-26(32)31-20-5-3-2-4-19(20)30-24)27(33)29-13-17-8-11-21-22(12-17)36-15-35-21/h2-12H,13-15,28H2,1H3,(H,29,33)