1-[5-(4-nitrophenyl)carbonyl-3-pyridin-4-yl-thiophen-2-yl]piperidin-4-one

Systemtic Name: 1-[5-(4-nitrophenyl)carbonyl-3-pyridin-4-yl-thiophen-2-yl]piperidin-4-one Openeye Name: 1-[5-(4-nitrobenzoyl)-3-(4-pyridyl)-2-thienyl]piperidin-4-one CAS Name: 1-[5-[(4-nitrophenyl)-oxomethyl]-3-pyridin-4-yl-2-thiophenyl]-4-piperidinone IUPAC Name: 1-[5-(4-nitrobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one Traditional Name: 1-[5-(4-nitrobenzoyl)-3-(4-pyridyl)-2-thienyl]-4-piperidone Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=C(C=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1=O)C2=C(C=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C21H17N3O4S/c25-17-7-11-23(12-8-17)21-18(14-5-9-22-10-6-14)13-19(29-21)20(26)15-1-3-16(4-2-15)24(27)28/h1-6,9-10,13H,7-8,11-12H2