3-(5-nitrofuran-2-yl)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(5-nitrofuran-2-yl)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-nitro-2-furyl)-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]-1-piperidyl]prop-2-en-1-one CAS Name: 3-(5-nitro-2-furanyl)-1-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]-2-propen-1-one IUPAC Name: 3-(5-nitrofuran-2-yl)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-nitro-2-furyl)-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidino]prop-2-en-1-one Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CC3=CC=CC=N3)C(=O)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CC3=CC=CC=N3)C(=O)C=CC4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c27-19(6-4-18-5-7-20(30-18)26(28)29)24-12-8-16(9-13-24)21-23-11-14-25(21)15-17-3-1-2-10-22-17/h1-7,10-11,14,16H,8-9,12-13,15H2