isoquinoline-3-carboxamide hydrate

Systemtic Name: isoquinoline-3-carboxamide hydrate Openeye Name: isoquinoline-3-carboxamide hydrate CAS Name: 3-isoquinolinecarboxamide hydrate IUPAC Name: isoquinoline-3-carboxamide hydrate Traditional Name: isoquinoline-3-carboxamide hydrate Formula: C10H10N2O2 MolecularWeight: 190.1986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)N.O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)N.O

InChI

InChI=1S/C10H8N2O.H2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9;/h1-6H,(H2,11,13);1H2