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

Systemtic Name: 2-azanyl-1-(3-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-butoxyphenyl)-N-p-anisyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C29H29N5O3 MolecularWeight: 495.57226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)OC)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)OC)N

InChI

InChI=1S/C29H29N5O3/c1-3-4-16-37-22-9-7-8-20(17-22)34-27(30)25(26-28(34)33-24-11-6-5-10-23(24)32-26)29(35)31-18-19-12-14-21(36-2)15-13-19/h5-15,17H,3-4,16,18,30H2,1-2H3,(H,31,35)