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

Systemtic Name: 2-azanyl-N-[(4-methylphenyl)methyl]-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-octyl-N-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(4-methylphenyl)methyl]-1-octyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(4-methylphenyl)methyl]-1-octylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(4-methylbenzyl)-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)C)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)C)N

InChI

InChI=1S/C27H33N5O/c1-3-4-5-6-7-10-17-32-25(28)23(27(33)29-18-20-15-13-19(2)14-16-20)24-26(32)31-22-12-9-8-11-21(22)30-24/h8-9,11-16H,3-7,10,17-18,28H2,1-2H3,(H,29,33)