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

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-2-isobutyl-4-phenyl-6-(2H-tetrazol-5-yl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-6-(2H-tetrazol-5-yl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-6-(2H-tetrazol-5-yl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-2-isobutyl-4-phenyl-6-(2H-tetrazol-5-yl)isocarbostyril Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NNN=N3)C4=CC=CC=C4)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NNN=N3)C4=CC=CC=C4)CN

InChI

InChI=1S/C21H22N6O/c1-13(2)12-27-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20-23-25-26-24-20)8-9-16(17)21(27)28/h3-10,13H,11-12,22H2,1-2H3,(H,23,24,25,26)