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

Systemtic Name: phenyl-(2-quinolin-2-yl-3H-benzimidazol-5-yl)methanone hydrate Openeye Name: phenyl-[2-(2-quinolyl)-3H-benzimidazol-5-yl]methanone hydrate CAS Name: phenyl-[2-(2-quinolinyl)-3H-benzimidazol-5-yl]methanone hydrate IUPAC Name: phenyl-(2-quinolin-2-yl-3H-benzimidazol-5-yl)methanone hydrate Traditional Name: phenyl-[2-(2-quinolyl)-3H-benzimidazol-5-yl]methanone hydrate Formula: C23H17N3O2 MolecularWeight: 367.39998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=NC5=CC=CC=C5C=C4.O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=NC5=CC=CC=C5C=C4.O

InChI

InChI=1S/C23H15N3O.H2O/c27-22(16-7-2-1-3-8-16)17-11-12-19-21(14-17)26-23(25-19)20-13-10-15-6-4-5-9-18(15)24-20;/h1-14H,(H,25,26);1H2