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

Systemtic Name: N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-2-fluoranyl-4-(4-methoxyphenyl)benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-2-fluoro-4-(4-methoxyphenyl)benzamide CAS Name: N-[3-(1-azepanylmethyl)-6-methyl-7-quinolinyl]-2-fluoro-4-(4-methoxyphenyl)benzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-6-methylquinolin-7-yl]-2-fluoro-4-(4-methoxyphenyl)benzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-2-fluoro-4-(4-methoxyphenyl)benzamide Formula: C31H32FN3O2 MolecularWeight: 497.603083

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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=C(C=C4)OC)F)CN5CCCCCC5

Isomeric SMILES

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

InChI

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