phenyl-[1-(phenylcarbonyl)pyrrolo[2,1-a]isoquinolin-3-yl]methanone hydrate

Systemtic Name: phenyl-[1-(phenylcarbonyl)pyrrolo[2,1-a]isoquinolin-3-yl]methanone hydrate Openeye Name: (1-benzoylpyrrolo[2,1-a]isoquinolin-3-yl)-phenyl-methanone hydrate CAS Name: (1-benzoyl-3-pyrrolo[2,1-a]isoquinolinyl)-phenylmethanone hydrate IUPAC Name: (1-benzoylpyrrolo[2,1-a]isoquinolin-3-yl)-phenylmethanone hydrate Traditional Name: (1-benzoylpyrrol[2,1-a]isoquinolin-3-yl)-phenyl-methanone hydrate Formula: C26H19NO3 MolecularWeight: 393.43396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5.O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5.O

InChI

InChI=1S/C26H17NO2.H2O/c28-25(19-10-3-1-4-11-19)22-17-23(26(29)20-12-5-2-6-13-20)27-16-15-18-9-7-8-14-21(18)24(22)27;/h1-17H;1H2