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

Systemtic Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[(3-nitrophenyl)methylidene]butan-1-one Openeye Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-2-[(3-nitrophenyl)methylene]butan-1-one CAS Name: 1-[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-2-[(3-nitrophenyl)methylidene]-1-butanone IUPAC Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[(3-nitrophenyl)methylidene]butan-1-one Traditional Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-2-ethyl-3-(3-nitrophenyl)prop-2-en-1-one Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H27N7O3/c1-2-20(16-19-6-5-7-22(17-19)33(35)36)26(34)30-13-10-21(11-14-30)25-27-12-15-31(25)18-32-24-9-4-3-8-23(24)28-29-32/h3-9,12,15-17,21H,2,10-11,13-14,18H2,1H3