phenyl-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methanone hydrate

Systemtic Name: phenyl-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methanone hydrate Openeye Name: phenyl-[2-(4-pyridyl)-3H-benzimidazol-5-yl]methanone hydrate CAS Name: phenyl-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methanone hydrate IUPAC Name: phenyl-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methanone hydrate Traditional Name: phenyl-[2-(4-pyridyl)-3H-benzimidazol-5-yl]methanone hydrate Formula: C19H15N3O2 MolecularWeight: 317.3413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4.O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4.O

InChI

InChI=1S/C19H13N3O.H2O/c23-18(13-4-2-1-3-5-13)15-6-7-16-17(12-15)22-19(21-16)14-8-10-20-11-9-14;/h1-12H,(H,21,22);1H2