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

Systemtic Name: N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-3-fluoranyl-4-(4-methoxyphenyl)benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-3-fluoro-4-(4-methoxyphenyl)benzamide CAS Name: N-[3-(1-azepanylmethyl)-8-methyl-7-quinolinyl]-3-fluoro-4-(4-methoxyphenyl)benzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-8-methylquinolin-7-yl]-3-fluoro-4-(4-methoxyphenyl)benzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-3-fluoro-4-(4-methoxyphenyl)benzamide Formula: C31H32FN3O2 MolecularWeight: 497.603083

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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=C(C=C5)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C31H32FN3O2/c1-21-29(14-10-24-17-22(19-33-30(21)24)20-35-15-5-3-4-6-16-35)34-31(36)25-9-13-27(28(32)18-25)23-7-11-26(37-2)12-8-23/h7-14,17-19H,3-6,15-16,20H2,1-2H3,(H,34,36)