(E)-1-[2-[5-(azepan-1-ylcarbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one

Systemtic Name: (E)-1-[2-[5-(azepan-1-ylcarbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one Openeye Name: (E)-1-[2-[5-(azepane-1-carbonyl)-2-thienyl]pyrrolidin-1-yl]pent-3-en-1-one CAS Name: (E)-1-[2-[5-[1-azepanyl(oxo)methyl]-2-thiophenyl]-1-pyrrolidinyl]-3-penten-1-one IUPAC Name: (E)-1-[2-[5-(azepane-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one Traditional Name: (E)-1-[2-[5-(azepane-1-carbonyl)-2-thienyl]pyrrolidino]pent-3-en-1-one Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(=O)N1CCCC1C2=CC=C(S2)C(=O)N3CCCCCC3

Isomeric SMILES

C/C=C/CC(=O)N1CCCC1C2=CC=C(S2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N2O2S/c1-2-3-10-19(23)22-15-8-9-16(22)17-11-12-18(25-17)20(24)21-13-6-4-5-7-14-21/h2-3,11-12,16H,4-10,13-15H2,1H3/b3-2+