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

Systemtic Name: 3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxamide Openeye Name: 3-(aminomethyl)-4-(3-fluorophenyl)-2-isobutyl-1-oxo-isoquinoline-6-carboxamide CAS Name: 3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxamide IUPAC Name: 3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxamide Traditional Name: 3-(aminomethyl)-4-(3-fluorophenyl)-2-isobutyl-1-keto-isoquinoline-6-carboxamide Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2/c1-12(2)11-25-18(10-23)19(13-4-3-5-15(22)8-13)17-9-14(20(24)26)6-7-16(17)21(25)27/h3-9,12H,10-11,23H2,1-2H3,(H2,24,26)