N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-4-(5-chloranylthiophen-2-yl)-2-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-4-(5-chloranylthiophen-2-yl)-2-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-4-(5-chloro-2-thienyl)-2-fluoro-benzamide CAS Name: N-[3-(1-azepanylmethyl)-8-methyl-7-quinolinyl]-4-(5-chloro-2-thiophenyl)-2-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-8-methylquinolin-7-yl]-4-(5-chlorothiophen-2-yl)-2-fluorobenzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-4-(5-chloro-2-thienyl)-2-fluoro-benzamide Formula: C28H27ClFN3OS MolecularWeight: 508.049883

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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(S5)Cl)F

Isomeric SMILES

CC1=C(C=CC2=CC(=CN=C12)CN3CCCCCC3)NC(=O)C4=C(C=C(C=C4)C5=CC=C(S5)Cl)F

InChI

InChI=1S/C28H27ClFN3OS/c1-18-24(32-28(34)22-8-6-20(15-23(22)30)25-10-11-26(29)35-25)9-7-21-14-19(16-31-27(18)21)17-33-12-4-2-3-5-13-33/h6-11,14-16H,2-5,12-13,17H2,1H3,(H,32,34)