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

Systemtic Name: 2-azanyl-N-(3-methylphenyl)-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-isobutyl-N-(m-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(3-methylphenyl)-1-(2-methylpropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(3-methylphenyl)-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-isobutyl-N-(m-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC(C)C)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC(C)C)N

InChI

InChI=1S/C22H23N5O/c1-13(2)12-27-20(23)18(22(28)24-15-8-6-7-14(3)11-15)19-21(27)26-17-10-5-4-9-16(17)25-19/h4-11,13H,12,23H2,1-3H3,(H,24,28)