3-(azepan-1-ylmethyl)-4-(5-chloranylthiophen-2-yl)-6-methyl-2-quinolin-7-yl-benzamide

Systemtic Name: 3-(azepan-1-ylmethyl)-4-(5-chloranylthiophen-2-yl)-6-methyl-2-quinolin-7-yl-benzamide Openeye Name: 3-(azepan-1-ylmethyl)-4-(5-chloro-2-thienyl)-6-methyl-2-(7-quinolyl)benzamide CAS Name: 3-(1-azepanylmethyl)-4-(5-chloro-2-thiophenyl)-6-methyl-2-(7-quinolinyl)benzamide IUPAC Name: 3-(azepan-1-ylmethyl)-4-(5-chlorothiophen-2-yl)-6-methyl-2-quinolin-7-ylbenzamide Traditional Name: 3-(azepan-1-ylmethyl)-4-(5-chloro-2-thienyl)-6-methyl-2-(7-quinolyl)benzamide Formula: C28H28ClN3OS MolecularWeight: 490.05942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=C(S2)Cl)CN3CCCCCC3)C4=CC5=C(C=CC=N5)C=C4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=C(S2)Cl)CN3CCCCCC3)C4=CC5=C(C=CC=N5)C=C4)C(=O)N

InChI

InChI=1S/C28H28ClN3OS/c1-18-15-21(24-10-11-25(29)34-24)22(17-32-13-4-2-3-5-14-32)27(26(18)28(30)33)20-9-8-19-7-6-12-31-23(19)16-20/h6-12,15-16H,2-5,13-14,17H2,1H3,(H2,30,33)