N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-3-fluoranyl-4-phenyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-3-fluoranyl-4-phenyl-benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-3-fluoro-4-phenyl-benzamide CAS Name: N-[3-(1-azepanylmethyl)-8-methyl-7-quinolinyl]-3-fluoro-4-phenylbenzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-8-methylquinolin-7-yl]-3-fluoro-4-phenylbenzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-3-fluoro-4-phenyl-benzamide Formula: C30H30FN3O MolecularWeight: 467.577103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC(=CN=C12)CN3CCCCCC3)NC(=O)C4=CC(=C(C=C4)C5=CC=CC=C5)F

Isomeric SMILES

CC1=C(C=CC2=CC(=CN=C12)CN3CCCCCC3)NC(=O)C4=CC(=C(C=C4)C5=CC=CC=C5)F

InChI

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