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

Systemtic Name: 2-azanyl-N-heptyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-heptyl-1-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-heptyl-1-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-heptyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)C)N

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)C)N

InChI

InChI=1S/C26H31N5O/c1-3-4-5-6-9-16-28-26(32)22-23-25(30-21-11-8-7-10-20(21)29-23)31(24(22)27)17-19-14-12-18(2)13-15-19/h7-8,10-15H,3-6,9,16-17,27H2,1-2H3,(H,28,32)