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

Systemtic Name: 2-azanyl-1-[(2-chlorophenyl)methyl]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(2-chlorophenyl)methyl]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(2-chlorophenyl)methyl]-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(2-chlorophenyl)methyl]-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(2-chlorobenzyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H28ClN5O MolecularWeight: 449.97572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4Cl)N

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4Cl)N

InChI

InChI=1S/C25H28ClN5O/c1-2-3-4-5-10-15-28-25(32)21-22-24(30-20-14-9-8-13-19(20)29-22)31(23(21)27)16-17-11-6-7-12-18(17)26/h6-9,11-14H,2-5,10,15-16,27H2,1H3,(H,28,32)