2-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-N-phenyl-benzamide

Systemtic Name: 2-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-N-phenyl-benzamide Openeye Name: 2-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide CAS Name: 2-[(2S)-3-(1-benzotriazolyl)-2-hydroxypropoxy]-N-phenylbenzamide IUPAC Name: 2-[(2S)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide Traditional Name: 2-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(CN3C4=CC=CC=C4N=N3)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC[C@H](CN3C4=CC=CC=C4N=N3)O

InChI

InChI=1S/C22H20N4O3/c27-17(14-26-20-12-6-5-11-19(20)24-25-26)15-29-21-13-7-4-10-18(21)22(28)23-16-8-2-1-3-9-16/h1-13,17,27H,14-15H2,(H,23,28)/t17-/m0/s1