(1S,2R)-2-(benzotriazol-1-yl)-2-(4-dimethylaminophenyl)-1-pyridin-4-yl-ethanol

Systemtic Name: (1S,2R)-2-(benzotriazol-1-yl)-2-(4-dimethylaminophenyl)-1-pyridin-4-yl-ethanol Openeye Name: (1S,2R)-2-(benzotriazol-1-yl)-2-(4-dimethylaminophenyl)-1-(4-pyridyl)ethanol CAS Name: (1S,2R)-2-(1-benzotriazolyl)-2-(4-dimethylaminophenyl)-1-pyridin-4-ylethanol IUPAC Name: (1S,2R)-2-(benzotriazol-1-yl)-2-(4-dimethylaminophenyl)-1-pyridin-4-ylethanol Traditional Name: (1S,2R)-2-(benzotriazol-1-yl)-2-(4-dimethylaminophenyl)-1-(4-pyridyl)ethanol Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C(C2=CC=NC=C2)O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]([C@H](C2=CC=NC=C2)O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H21N5O/c1-25(2)17-9-7-15(8-10-17)20(21(27)16-11-13-22-14-12-16)26-19-6-4-3-5-18(19)23-24-26/h3-14,20-21,27H,1-2H3/t20-,21+/m1/s1