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

Systemtic Name: 2-azanyl-N-[(4-chlorophenyl)methyl]-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-[(4-chlorophenyl)methyl]-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(4-chlorophenyl)methyl]-1-octyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(4-chlorophenyl)methyl]-1-octylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(4-chlorobenzyl)-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H30ClN5O MolecularWeight: 464.0023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)Cl)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C26H30ClN5O/c1-2-3-4-5-6-9-16-32-24(28)22(26(33)29-17-18-12-14-19(27)15-13-18)23-25(32)31-21-11-8-7-10-20(21)30-23/h7-8,10-15H,2-6,9,16-17,28H2,1H3,(H,29,33)