N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-2-fluoranyl-4-phenyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-2-fluoranyl-4-phenyl-benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-2-fluoro-4-phenyl-benzamide CAS Name: N-[3-(1-azepanylmethyl)-6-methyl-7-quinolinyl]-2-fluoro-4-phenylbenzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-6-methylquinolin-7-yl]-2-fluoro-4-phenylbenzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-2-fluoro-4-phenyl-benzamide Formula: C30H30FN3O MolecularWeight: 467.577103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=C(C=C(C=C3)C4=CC=CC=C4)F)CN5CCCCCC5

Isomeric SMILES

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=C(C=C(C=C3)C4=CC=CC=C4)F)CN5CCCCCC5

InChI

InChI=1S/C30H30FN3O/c1-21-15-25-16-22(20-34-13-7-2-3-8-14-34)19-32-29(25)18-28(21)33-30(35)26-12-11-24(17-27(26)31)23-9-5-4-6-10-23/h4-6,9-12,15-19H,2-3,7-8,13-14,20H2,1H3,(H,33,35)