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

Systemtic Name: 2-azanyl-1-dodecyl-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-dodecyl-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-dodecyl-N-[(4-fluorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-dodecyl-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(4-fluorobenzyl)-1-lauryl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C30H38FN5O MolecularWeight: 503.654023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)F)N

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)F)N

InChI

InChI=1S/C30H38FN5O/c1-2-3-4-5-6-7-8-9-10-13-20-36-28(32)26(30(37)33-21-22-16-18-23(31)19-17-22)27-29(36)35-25-15-12-11-14-24(25)34-27/h11-12,14-19H,2-10,13,20-21,32H2,1H3,(H,33,37)