2-azanyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

Systemtic Name: 2-azanyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile Openeye Name: 2-amino-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile CAS Name: 2-amino-1-[(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarbonitrile IUPAC Name: 2-amino-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile Traditional Name: 2-amino-1-(3,4,5-trimethoxybenzyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile Formula: C21H19N5O3 MolecularWeight: 389.40726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N

InChI

InChI=1S/C21H19N5O3/c1-27-16-8-12(9-17(28-2)19(16)29-3)11-26-20(23)13(10-22)18-21(26)25-15-7-5-4-6-14(15)24-18/h4-9H,11,23H2,1-3H3