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

Systemtic Name: 2-azanyl-1-hexyl-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-hexyl-N-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-hexyl-N-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-hexyl-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-hexyl-N-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)C)N

Isomeric SMILES

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)C)N

InChI

InChI=1S/C25H29N5O/c1-3-4-5-8-15-30-23(26)21(25(31)27-16-18-13-11-17(2)12-14-18)22-24(30)29-20-10-7-6-9-19(20)28-22/h6-7,9-14H,3-5,8,15-16,26H2,1-2H3,(H,27,31)