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

Systemtic Name: (E)-3-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]prop-2-enamide CAS Name: (E)-3-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-2-propenamide IUPAC Name: (E)-3-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]acrylamide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C=CC(=O)N)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)/C=C/C(=O)N)CC(C)C)CN

InChI

InChI=1S/C21H29N3O3/c1-4-5-10-27-20-17-11-15(7-9-19(23)25)6-8-16(17)21(26)24(13-14(2)3)18(20)12-22/h6-9,11,14H,4-5,10,12-13,22H2,1-3H3,(H2,23,25)/b9-7+