[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-(1,2,3,4-tetrazol-1-yl)isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate

Systemtic Name: [4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-(1,2,3,4-tetrazol-1-yl)isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate Openeye Name: [4-butoxy-2-isobutyl-1-oxo-6-(tetrazol-1-yl)-3-isoquinolyl] N-tert-butyl-N-methyl-carbamate CAS Name: N-tert-butyl-N-methylcarbamic acid [4-butoxy-2-(2-methylpropyl)-1-oxo-6-(1-tetrazolyl)-3-isoquinolinyl] ester IUPAC Name: [4-butoxy-2-(2-methylpropyl)-1-oxo-6-(tetrazol-1-yl)isoquinolin-3-yl] N-tert-butyl-N-methylcarbamate Traditional Name: N-tert-butyl-N-methyl-carbamic acid [4-butoxy-2-isobutyl-1-keto-6-(tetrazol-1-yl)-3-isoquinolyl] ester Formula: C24H34N6O4 MolecularWeight: 470.56456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=NN=N3)CC(C)C)OC(=O)N(C)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=NN=N3)CC(C)C)OC(=O)N(C)C(C)(C)C

InChI

InChI=1S/C24H34N6O4/c1-8-9-12-33-20-19-13-17(30-15-25-26-27-30)10-11-18(19)21(31)29(14-16(2)3)22(20)34-23(32)28(7)24(4,5)6/h10-11,13,15-16H,8-9,12,14H2,1-7H3