3-(aminomethyl)-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile

Systemtic Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile Openeye Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-isobutyl-1-oxo-isoquinoline-6-carbonitrile CAS Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarbonitrile IUPAC Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbonitrile Traditional Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-isobutyl-1-keto-isoquinoline-6-carbonitrile Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C#N)C3=CC=CC=C3F)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C#N)C3=CC=CC=C3F)CN

InChI

InChI=1S/C21H20FN3O/c1-13(2)12-25-19(11-24)20(16-5-3-4-6-18(16)22)17-9-14(10-23)7-8-15(17)21(25)26/h3-9,13H,11-12,24H2,1-2H3