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

Systemtic Name: 2-azanyl-N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(4-chlorophenyl)methyl]-N-sec-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butan-2-yl-1-[(4-chlorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-chlorobenzyl)-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)CC4=CC=C(C=C4)Cl)N

Isomeric SMILES

CCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C22H22ClN5O/c1-3-13(2)25-22(29)18-19-21(27-17-7-5-4-6-16(17)26-19)28(20(18)24)12-14-8-10-15(23)11-9-14/h4-11,13H,3,12,24H2,1-2H3,(H,25,29)