isoquinoline hydrate

Systemtic Name: isoquinoline hydrate Openeye Name: isoquinoline hydrate CAS Name: isoquinoline hydrate IUPAC Name: isoquinoline hydrate Traditional Name: isoquinoline hydrate Formula: C18H16N2O MolecularWeight: 276.33244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC=CC2=C1.C1=CC=C2C=NC=CC2=C1.O

Isomeric SMILES

C1=CC=C2C=NC=CC2=C1.C1=CC=C2C=NC=CC2=C1.O

InChI

InChI=1S/2C9H7N.H2O/c2*1-2-4-9-7-10-6-5-8(9)3-1;/h2*1-7H;1H2