2-azanyl-1-(3,5-dimethylphenyl)-N-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3,5-dimethylphenyl)-N-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-benzyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-benzyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-benzyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H23N5O MolecularWeight: 421.49372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N)C

InChI

InChI=1S/C26H23N5O/c1-16-12-17(2)14-19(13-16)31-24(27)22(26(32)28-15-18-8-4-3-5-9-18)23-25(31)30-21-11-7-6-10-20(21)29-23/h3-14H,15,27H2,1-2H3,(H,28,32)