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

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-2-(phenylmethyl)-3H-isoindol-1-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-2-benzyl-isoindolin-1-one CAS Name: (3S)-3-(1-benzotriazolyl)-2-(phenylmethyl)-3H-isoindol-1-one IUPAC Name: (3S)-3-(benzotriazol-1-yl)-2-benzyl-3H-isoindol-1-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-2-benzyl-isoindolin-1-one Formula: C21H16N4O MolecularWeight: 340.37794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@H](C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H16N4O/c26-21-17-11-5-4-10-16(17)20(24(21)14-15-8-2-1-3-9-15)25-19-13-7-6-12-18(19)22-23-25/h1-13,20H,14H2/t20-/m0/s1