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

Systemtic Name: N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-4-(4-methoxyphenyl)benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-(4-methoxyphenyl)benzamide CAS Name: N-[3-(1-azepanylmethyl)-6-methyl-7-quinolinyl]-4-(4-methoxyphenyl)benzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-6-methylquinolin-7-yl]-4-(4-methoxyphenyl)benzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-(4-methoxyphenyl)benzamide Formula: C31H33N3O2 MolecularWeight: 479.61262

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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(C=C4)OC)CN5CCCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O2/c1-22-17-27-18-23(21-34-15-5-3-4-6-16-34)20-32-30(27)19-29(22)33-31(35)26-9-7-24(8-10-26)25-11-13-28(36-2)14-12-25/h7-14,17-20H,3-6,15-16,21H2,1-2H3,(H,33,35)