(E)-3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]prop-2-enamide

Systemtic Name: (E)-3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]prop-2-enamide CAS Name: (E)-3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-2-propenamide IUPAC Name: (E)-3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]acrylamide Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28/h3-12,15H,13-14,24H2,1-2H3,(H2,25,27)/b11-9+