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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC=C(C=C3)C4=CC=C(S4)Cl)CN5CCCCCC5

Isomeric SMILES

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC=C(C=C3)C4=CC=C(S4)Cl)CN5CCCCCC5

InChI

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