N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenoxy-benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-phenoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenoxybenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenoxy-benzamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C26H31N3O2/c1-28-17-9-12-24(28)25(29-18-7-2-3-8-19-29)20-27-26(30)21-13-15-23(16-14-21)31-22-10-5-4-6-11-22/h4-6,9-17,25H,2-3,7-8,18-20H2,1H3,(H,27,30)