2-azanyl-N-butan-2-yl-1-(3-chloranyl-4-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-butan-2-yl-1-(3-chloranyl-4-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-chloro-4-methyl-phenyl)-N-sec-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butan-2-yl-1-(3-chloro-4-methylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butan-2-yl-1-(3-chloro-4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-chloro-4-methyl-phenyl)-N-sec-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)C)Cl)N

Isomeric SMILES

CCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)C)Cl)N

InChI

InChI=1S/C22H22ClN5O/c1-4-13(3)25-22(29)18-19-21(27-17-8-6-5-7-16(17)26-19)28(20(18)24)14-10-9-12(2)15(23)11-14/h5-11,13H,4,24H2,1-3H3,(H,25,29)