N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]propanamide

Systemtic Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]propanamide Openeye Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]propanamide CAS Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]propanamide IUPAC Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]propanamide Traditional Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]propionamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-5-7-10-27-20-17-11-15(23-19(25)6-2)8-9-16(17)21(26)24(13-14(3)4)18(20)12-22/h8-9,11,14H,5-7,10,12-13,22H2,1-4H3,(H,23,25)