2-azanyl-1-(4-butylphenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-butylphenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butylphenyl)-N-isopentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butylphenyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butylphenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butylphenyl)-N-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC(C)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC(C)C)N

InChI

InChI=1S/C26H31N5O/c1-4-5-8-18-11-13-19(14-12-18)31-24(27)22(26(32)28-16-15-17(2)3)23-25(31)30-21-10-7-6-9-20(21)29-23/h6-7,9-14,17H,4-5,8,15-16,27H2,1-3H3,(H,28,32)