2-[(3-nitrophenyl)methylidene]-1-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 2-[(3-nitrophenyl)methylidene]-1-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one Openeye Name: 2-[(3-nitrophenyl)methylene]-1-[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]-1-piperidyl]butan-1-one CAS Name: 2-[(3-nitrophenyl)methylidene]-1-[4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinyl]-1-butanone IUPAC Name: 2-[(3-nitrophenyl)methylidene]-1-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-3-(3-nitrophenyl)-1-[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidino]prop-2-en-1-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

Isomeric SMILES

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

InChI

InChI=1S/C25H28N4O3S/c1-2-21(16-20-4-3-5-23(17-20)29(31)32)25(30)28-12-7-22(8-13-28)24-26-10-14-27(24)11-6-19-9-15-33-18-19/h3-5,9-10,14-18,22H,2,6-8,11-13H2,1H3