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

Systemtic Name: 2-azanyl-N-(3-methylbutyl)-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-isopentyl-1-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(3-methylbutyl)-1-(4-methylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(3-methylbutyl)-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-isoamyl-1-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC(C)C)N

InChI

InChI=1S/C23H25N5O/c1-14(2)12-13-25-23(29)19-20-22(27-18-7-5-4-6-17(18)26-20)28(21(19)24)16-10-8-15(3)9-11-16/h4-11,14H,12-13,24H2,1-3H3,(H,25,29)