3-(benzotriazol-1-yl)-1-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(benzotriazol-1-yl)-1-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(benzotriazol-1-yl)-1-[4-[4-(4-pyridyl)-1H-pyrazol-5-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1-benzotriazolyl)-1-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzotriazol-1-yl)-1-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(benzotriazol-1-yl)-1-[4-[4-(4-pyridyl)-1H-pyrazol-5-yl]piperidino]propan-1-one Formula: C22H23N7O MolecularWeight: 401.46432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C=NN2)C3=CC=NC=C3)C(=O)CCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCC1C2=C(C=NN2)C3=CC=NC=C3)C(=O)CCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N7O/c30-21(9-14-29-20-4-2-1-3-19(20)25-27-29)28-12-7-17(8-13-28)22-18(15-24-26-22)16-5-10-23-11-6-16/h1-6,10-11,15,17H,7-9,12-14H2,(H,24,26)