N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-4-fluoranyl-benzamide

Systemtic Name: N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-4-fluoranyl-benzamide Openeye Name: N-[3,3-dimethyl-1-(3-quinolyl)-4H-isoquinolin-5-yl]-4-fluoro-benzamide CAS Name: N-[3,3-dimethyl-1-(3-quinolinyl)-4H-isoquinolin-5-yl]-4-fluorobenzamide IUPAC Name: N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-4-fluorobenzamide Traditional Name: N-[3,3-dimethyl-1-(3-quinolyl)-4H-isoquinolin-5-yl]-4-fluoro-benzamide Formula: C27H22FN3O MolecularWeight: 423.481483

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC=C2NC(=O)C3=CC=C(C=C3)F)C(=N1)C4=CC5=CC=CC=C5N=C4)C

Isomeric SMILES

CC1(CC2=C(C=CC=C2NC(=O)C3=CC=C(C=C3)F)C(=N1)C4=CC5=CC=CC=C5N=C4)C

InChI

InChI=1S/C27H22FN3O/c1-27(2)15-22-21(25(31-27)19-14-18-6-3-4-8-23(18)29-16-19)7-5-9-24(22)30-26(32)17-10-12-20(28)13-11-17/h3-14,16H,15H2,1-2H3,(H,30,32)