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

Systemtic Name: N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-4-(4-chlorophenyl)-2-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-(4-chlorophenyl)-2-fluoro-benzamide CAS Name: N-[3-(1-azepanylmethyl)-6-methyl-7-quinolinyl]-4-(4-chlorophenyl)-2-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-6-methylquinolin-7-yl]-4-(4-chlorophenyl)-2-fluorobenzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-(4-chlorophenyl)-2-fluoro-benzamide Formula: C30H29ClFN3O MolecularWeight: 502.022163

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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)Cl)F)CN5CCCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C30H29ClFN3O/c1-20-14-24-15-21(19-35-12-4-2-3-5-13-35)18-33-29(24)17-28(20)34-30(36)26-11-8-23(16-27(26)32)22-6-9-25(31)10-7-22/h6-11,14-18H,2-5,12-13,19H2,1H3,(H,34,36)