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

Systemtic Name: N-[3-(azepan-1-ylmethyl)quinolin-7-yl]-4-(4-methoxyphenyl)benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-7-quinolyl]-4-(4-methoxyphenyl)benzamide CAS Name: N-[3-(1-azepanylmethyl)-7-quinolinyl]-4-(4-methoxyphenyl)benzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)quinolin-7-yl]-4-(4-methoxyphenyl)benzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-7-quinolyl]-4-(4-methoxyphenyl)benzamide Formula: C30H31N3O2 MolecularWeight: 465.58604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3)CN5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3)CN5CCCCCC5

InChI

InChI=1S/C30H31N3O2/c1-35-28-14-11-24(12-15-28)23-6-8-25(9-7-23)30(34)32-27-13-10-26-18-22(20-31-29(26)19-27)21-33-16-4-2-3-5-17-33/h6-15,18-20H,2-5,16-17,21H2,1H3,(H,32,34)