4-[3-(hydroxymethyl)-4-phenyl-isoquinolin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(hydroxymethyl)-4-phenyl-isoquinolin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(hydroxymethyl)-4-phenyl-1-isoquinolyl]benzonitrile CAS Name: 4-[3-(hydroxymethyl)-4-phenyl-1-isoquinolinyl]benzonitrile IUPAC Name: 4-[3-(hydroxymethyl)-4-phenylisoquinolin-1-yl]benzonitrile Traditional Name: 4-(3-methylol-4-phenyl-1-isoquinolyl)benzonitrile Formula: C23H16N2O MolecularWeight: 336.38594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C3=CC=CC=C32)C4=CC=C(C=C4)C#N)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C3=CC=CC=C32)C4=CC=C(C=C4)C#N)CO

InChI

InChI=1S/C23H16N2O/c24-14-16-10-12-18(13-11-16)23-20-9-5-4-8-19(20)22(21(15-26)25-23)17-6-2-1-3-7-17/h1-13,26H,15H2