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

Systemtic Name: N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-4-(1-benzofuran-2-yl)benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-(benzofuran-2-yl)benzamide CAS Name: N-[3-(1-azepanylmethyl)-6-methyl-7-quinolinyl]-4-(2-benzofuranyl)benzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-6-methylquinolin-7-yl]-4-(1-benzofuran-2-yl)benzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-(benzofuran-2-yl)benzamide Formula: C32H31N3O2 MolecularWeight: 489.60744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5O4)CN6CCCCCC6

Isomeric SMILES

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5O4)CN6CCCCCC6

InChI

InChI=1S/C32H31N3O2/c1-22-16-27-17-23(21-35-14-6-2-3-7-15-35)20-33-29(27)19-28(22)34-32(36)25-12-10-24(11-13-25)31-18-26-8-4-5-9-30(26)37-31/h4-5,8-13,16-20H,2-3,6-7,14-15,21H2,1H3,(H,34,36)