4-(phenylmethyl)-4H-isoindole hydrate

Systemtic Name: 4-(phenylmethyl)-4H-isoindole hydrate Openeye Name: 4-benzyl-4H-isoindole hydrate CAS Name: 4-(phenylmethyl)-4H-isoindole hydrate IUPAC Name: 4-benzyl-4H-isoindole hydrate Traditional Name: 4-benzyl-4H-isoindole hydrate Formula: C15H15NO MolecularWeight: 225.2857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C=CC=C3C2=CN=C3.O

Isomeric SMILES

C1=CC=C(C=C1)CC2C=CC=C3C2=CN=C3.O

InChI

InChI=1S/C15H13N.H2O/c1-2-5-12(6-3-1)9-13-7-4-8-14-10-16-11-15(13)14;/h1-8,10-11,13H,9H2;1H2