2-azanyl-1-[(4-fluorophenyl)methyl]-N-(6-methylheptan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[(4-fluorophenyl)methyl]-N-(6-methylheptan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,5-dimethylhexyl)-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(4-fluorophenyl)methyl]-N-(6-methylheptan-2-yl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(4-fluorophenyl)methyl]-N-(6-methylheptan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(1,5-dimethylhexyl)-1-(4-fluorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H30FN5O MolecularWeight: 447.547703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)F)N

Isomeric SMILES

CC(C)CCCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)F)N

InChI

InChI=1S/C26H30FN5O/c1-16(2)7-6-8-17(3)29-26(33)22-23-25(31-21-10-5-4-9-20(21)30-23)32(24(22)28)15-18-11-13-19(27)14-12-18/h4-5,9-14,16-17H,6-8,15,28H2,1-3H3,(H,29,33)