3-(aminomethyl)-4-butoxy-6-(furan-2-yl)-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-6-(furan-2-yl)-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-6-(2-furyl)-2-isobutyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-6-(2-furanyl)-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-6-(furan-2-yl)-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-6-(2-furyl)-2-isobutyl-isocarbostyril Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CC=CO3)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CC=CO3)CC(C)C)CN

InChI

InChI=1S/C22H28N2O3/c1-4-5-10-27-21-18-12-16(20-7-6-11-26-20)8-9-17(18)22(25)24(14-15(2)3)19(21)13-23/h6-9,11-12,15H,4-5,10,13-14,23H2,1-3H3