3-(benzotriazol-1-yl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(benzotriazol-1-yl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(benzotriazol-1-yl)-1-[3-[5-(3-methylisoxazol-5-yl)pyrimidin-4-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1-benzotriazolyl)-1-[3-[5-(3-methyl-5-isoxazolyl)-4-pyrimidinyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzotriazol-1-yl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-(benzotriazol-1-yl)-1-[3-[5-(3-methylisoxazol-5-yl)pyrimidin-4-yl]piperidino]propan-1-one Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CN=CN=C2C3CCCN(C3)C(=O)CCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=NOC(=C1)C2=CN=CN=C2C3CCCN(C3)C(=O)CCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N7O2/c1-15-11-20(31-26-15)17-12-23-14-24-22(17)16-5-4-9-28(13-16)21(30)8-10-29-19-7-3-2-6-18(19)25-27-29/h2-3,6-7,11-12,14,16H,4-5,8-10,13H2,1H3