2-cyclopropyl-4-(3-fluorophenyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carbonitrile

Systemtic Name: 2-cyclopropyl-4-(3-fluorophenyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carbonitrile Openeye Name: 6-benzyloxy-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-isoquinoline-3-carbonitrile CAS Name: 2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarbonitrile IUPAC Name: 2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carbonitrile Traditional Name: 6-benzoxy-2-cyclopropyl-4-(3-fluorophenyl)-1-keto-isoquinoline-3-carbonitrile Formula: C26H19FN2O2 MolecularWeight: 410.439663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C3=C(C2=O)C=CC(=C3)OCC4=CC=CC=C4)C5=CC(=CC=C5)F)C#N

Isomeric SMILES

C1CC1N2C(=C(C3=C(C2=O)C=CC(=C3)OCC4=CC=CC=C4)C5=CC(=CC=C5)F)C#N

InChI

InChI=1S/C26H19FN2O2/c27-19-8-4-7-18(13-19)25-23-14-21(31-16-17-5-2-1-3-6-17)11-12-22(23)26(30)29(20-9-10-20)24(25)15-28/h1-8,11-14,20H,9-10,16H2