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

Systemtic Name: 2-azanyl-1-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-chlorophenyl)-N-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-chlorophenyl)-N-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H20ClN5O MolecularWeight: 441.9122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC=C5)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC=C5)Cl)N

InChI

InChI=1S/C25H20ClN5O/c1-15-9-11-16(12-10-15)14-28-25(32)21-22-24(30-20-8-3-2-7-19(20)29-22)31(23(21)27)18-6-4-5-17(26)13-18/h2-13H,14,27H2,1H3,(H,28,32)