2-azanyl-N-butan-2-yl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-butan-2-yl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butylphenyl)-N-sec-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butan-2-yl-1-(4-butylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butan-2-yl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butylphenyl)-N-sec-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H29N5O MolecularWeight: 415.53066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CC)N

InChI

InChI=1S/C25H29N5O/c1-4-6-9-17-12-14-18(15-13-17)30-23(26)21(25(31)27-16(3)5-2)22-24(30)29-20-11-8-7-10-19(20)28-22/h7-8,10-16H,4-6,9,26H2,1-3H3,(H,27,31)