N-[3-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)propyl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)propyl]isoquinoline-3-carboxamide Openeye Name: N-[3-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)propyl]isoquinoline-3-carboxamide CAS Name: N-[3-(4-amino-2-butyl-1-imidazo[4,5-c]quinolinyl)propyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]isoquinoline-3-carboxamide Traditional Name: N-[3-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)propyl]isoquinoline-3-carboxamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CCCNC(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=CC=C5N=C2N

Isomeric SMILES

CCCCC1=NC2=C(N1CCCNC(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=CC=C5N=C2N

InChI

InChI=1S/C27H28N6O/c1-2-3-13-23-32-24-25(20-11-6-7-12-21(20)31-26(24)28)33(23)15-8-14-29-27(34)22-16-18-9-4-5-10-19(18)17-30-22/h4-7,9-12,16-17H,2-3,8,13-15H2,1H3,(H2,28,31)(H,29,34)