[2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)isoquinolin-3-yl]methylcarbamic acid

Systemtic Name: [2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)isoquinolin-3-yl]methylcarbamic acid Openeye Name: [2-isobutyl-1-oxo-4-phenyl-6-(2H-tetrazol-5-yl)-3-isoquinolyl]methylcarbamic acid CAS Name: [2-(2-methylpropyl)-1-oxo-4-phenyl-6-(2H-tetrazol-5-yl)-3-isoquinolinyl]methylcarbamic acid IUPAC Name: [2-(2-methylpropyl)-1-oxo-4-phenyl-6-(2H-tetrazol-5-yl)isoquinolin-3-yl]methylcarbamic acid Traditional Name: [2-isobutyl-1-keto-4-phenyl-6-(2H-tetrazol-5-yl)-3-isoquinolyl]methylcarbamic acid Formula: C22H22N6O3 MolecularWeight: 418.44848

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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)CNC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O3/c1-13(2)12-28-18(11-23-22(30)31)19(14-6-4-3-5-7-14)17-10-15(20-24-26-27-25-20)8-9-16(17)21(28)29/h3-10,13,23H,11-12H2,1-2H3,(H,30,31)(H,24,25,26,27)