N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-4-(4-methoxyphenyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-4-(4-methoxyphenyl)benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-4-(4-methoxyphenyl)benzamide CAS Name: N-[3-(1-azepanylmethyl)-8-methyl-7-quinolinyl]-4-(4-methoxyphenyl)benzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-8-methylquinolin-7-yl]-4-(4-methoxyphenyl)benzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-4-(4-methoxyphenyl)benzamide Formula: C31H33N3O2 MolecularWeight: 479.61262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC(=CN=C12)CN3CCCCCC3)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=CC2=CC(=CN=C12)CN3CCCCCC3)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

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