N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-2-fluoranyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-2-fluoranyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-2-fluoro-4-(4-fluorophenyl)benzamide CAS Name: N-[3-(1-azepanylmethyl)-8-methyl-7-quinolinyl]-2-fluoro-4-(4-fluorophenyl)benzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(4-fluorophenyl)benzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-2-fluoro-4-(4-fluorophenyl)benzamide Formula: C30H29F2N3O MolecularWeight: 485.567566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29F2N3O/c1-20-28(13-9-24-16-21(18-33-29(20)24)19-35-14-4-2-3-5-15-35)34-30(36)26-12-8-23(17-27(26)32)22-6-10-25(31)11-7-22/h6-13,16-18H,2-5,14-15,19H2,1H3,(H,34,36)