N-[4-[4-azanyl-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]but-3-enamide

Systemtic Name: N-[4-[4-azanyl-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]but-3-enamide Openeye Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]but-3-enamide CAS Name: N-[4-[4-amino-2-(2-methoxyethyl)-1-imidazo[4,5-c]quinolinyl]butyl]-3-butenamide IUPAC Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]but-3-enamide Traditional Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]but-3-enamide Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC2=C(N1CCCCNC(=O)CC=C)C3=CC=CC=C3N=C2N

Isomeric SMILES

COCCC1=NC2=C(N1CCCCNC(=O)CC=C)C3=CC=CC=C3N=C2N

InChI

InChI=1S/C21H27N5O2/c1-3-8-18(27)23-12-6-7-13-26-17(11-14-28-2)25-19-20(26)15-9-4-5-10-16(15)24-21(19)22/h3-5,9-10H,1,6-8,11-14H2,2H3,(H2,22,24)(H,23,27)