(E)-3-(5-chloranylthiophen-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranylthiophen-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-2-thienyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-chloro-2-thiophenyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-propen-1-one IUPAC Name: (E)-3-(5-chlorothiophen-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-2-thienyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CC=C(S3)Cl

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN2OS/c1-20-12-5-7-15(20)16-6-3-2-4-13-21(16)18(22)11-9-14-8-10-17(19)23-14/h5,7-12,16H,2-4,6,13H2,1H3/b11-9+