1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one

Systemtic Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one Openeye Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one CAS Name: 1-[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-3-(2,4-dimethoxy-5-pyrimidinyl)-2-propen-1-one IUPAC Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one Traditional Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one Formula: C24H26N8O3 MolecularWeight: 474.51504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C=CC(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=NC(=NC=C1C=CC(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C24H26N8O3/c1-34-23-18(15-26-24(27-23)35-2)7-8-21(33)30-12-9-17(10-13-30)22-25-11-14-31(22)16-32-20-6-4-3-5-19(20)28-29-32/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3