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

Systemtic Name: 2-azanyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(3-phenylpropyl)-1-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-methylbenzyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H27N5O MolecularWeight: 449.54688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCC5=CC=CC=C5)N

InChI

InChI=1S/C28H27N5O/c1-19-13-15-21(16-14-19)18-33-26(29)24(25-27(33)32-23-12-6-5-11-22(23)31-25)28(34)30-17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-16H,7,10,17-18,29H2,1H3,(H,30,34)