ditert-butyl 3-phenyl-10bH-[1,2,3,4]tetrazolo[5,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: ditert-butyl 3-phenyl-10bH-[1,2,3,4]tetrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: ditert-butyl 3-phenyl-10bH-tetrazolo[5,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 3-phenyl-10bH-tetrazolo[5,1-a]isoquinoline-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 3-phenyl-10bH-tetrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 3-phenyl-10bH-tetrazol[5,1-a]isoquinoline-1,2-dicarboxylic acid ditert-butyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C3=CC=CC=C3C=CN2N(N1C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2C3=CC=CC=C3C=CN2N(N1C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-24(2,3)32-22(30)27-21-20-15-11-10-12-18(20)16-17-26(21)28(19-13-8-7-9-14-19)29(27)23(31)33-25(4,5)6/h7-17,21H,1-6H3