N-[3-[4-azanyl-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-[4-azanyl-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]-4-bromanyl-benzamide Openeye Name: N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]-4-bromo-benzamide CAS Name: N-[3-[4-amino-2-(3-phenoxypropyl)-1-imidazo[4,5-c]quinolinyl]propyl]-4-bromobenzamide IUPAC Name: N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]-4-bromobenzamide Traditional Name: N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]-4-bromo-benzamide Formula: C29H28BrN5O2 MolecularWeight: 558.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC2=NC3=C(N2CCCNC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5N=C3N

Isomeric SMILES

C1=CC=C(C=C1)OCCCC2=NC3=C(N2CCCNC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5N=C3N

InChI

InChI=1S/C29H28BrN5O2/c30-21-15-13-20(14-16-21)29(36)32-17-7-18-35-25(12-6-19-37-22-8-2-1-3-9-22)34-26-27(35)23-10-4-5-11-24(23)33-28(26)31/h1-5,8-11,13-16H,6-7,12,17-19H2,(H2,31,33)(H,32,36)