N-[4-[4-azanyl-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-[4-azanyl-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-1-carboxamide Openeye Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-1-carboxamide CAS Name: N-[4-[4-amino-2-(2-methoxyethyl)-1-imidazo[4,5-c]quinolinyl]butyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-1-carboxamide Traditional Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-1-carboxamide Formula: C27H28N6O2 MolecularWeight: 468.55022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC2=C(N1CCCCNC(=O)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5N=C2N

Isomeric SMILES

COCCC1=NC2=C(N1CCCCNC(=O)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5N=C2N

InChI

InChI=1S/C27H28N6O2/c1-35-17-13-22-32-24-25(20-10-4-5-11-21(20)31-26(24)28)33(22)16-7-6-14-30-27(34)23-19-9-3-2-8-18(19)12-15-29-23/h2-5,8-12,15H,6-7,13-14,16-17H2,1H3,(H2,28,31)(H,30,34)