(3S)-3-(benzotriazol-1-yl)-2-phenethyl-3H-isoindol-1-one

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-2-phenethyl-3H-isoindol-1-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-2-phenethyl-isoindolin-1-one CAS Name: (3S)-3-(1-benzotriazolyl)-2-phenethyl-3H-isoindol-1-one IUPAC Name: (3S)-3-(benzotriazol-1-yl)-2-phenethyl-3H-isoindol-1-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-2-phenethyl-isoindolin-1-one Formula: C22H18N4O MolecularWeight: 354.40452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)CCN2[C@H](C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H18N4O/c27-22-18-11-5-4-10-17(18)21(25(22)15-14-16-8-2-1-3-9-16)26-20-13-7-6-12-19(20)23-24-26/h1-13,21H,14-15H2/t21-/m0/s1