2-(azocan-1-yl)-1-[5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(azocan-1-yl)-1-[5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone Openeye Name: 2-(azocan-1-yl)-1-[5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone CAS Name: 2-(1-azocanyl)-1-[5-[(4-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolyl]ethanone IUPAC Name: 2-(azocan-1-yl)-1-[5-(4-chlorobenzoyl)-1-methylpyrrol-3-yl]ethanone Traditional Name: 2-(azocan-1-yl)-1-[5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)C(=O)CN3CCCCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)C(=O)CN3CCCCCCC3

InChI

InChI=1S/C21H25ClN2O2/c1-23-14-17(20(25)15-24-11-5-3-2-4-6-12-24)13-19(23)21(26)16-7-9-18(22)10-8-16/h7-10,13-14H,2-6,11-12,15H2,1H3