3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(2H-1,2,3,4-tetrazol-5-yl)isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(2H-1,2,3,4-tetrazol-5-yl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(2H-tetrazol-5-yl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(2H-tetrazol-5-yl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(2H-tetrazol-5-yl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(2H-tetrazol-5-yl)isocarbostyril Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NNN=N3)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NNN=N3)CC(C)C)CN

InChI

InChI=1S/C19H26N6O2/c1-4-5-8-27-17-15-9-13(18-21-23-24-22-18)6-7-14(15)19(26)25(11-12(2)3)16(17)10-20/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3,(H,21,22,23,24)