N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-(4-chlorophenoxy)-2-methylpropanamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C23H32ClN3O2 MolecularWeight: 417.97208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCC(C1=CC=CN1C)N2CCCCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NCC(C1=CC=CN1C)N2CCCCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H32ClN3O2/c1-23(2,29-19-12-10-18(24)11-13-19)22(28)25-17-21(20-9-8-14-26(20)3)27-15-6-4-5-7-16-27/h8-14,21H,4-7,15-17H2,1-3H3,(H,25,28)