tert-butyl 3-(9-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(9-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 3-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate CAS Name: 3-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate Traditional Name: 3-(9-keto-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC3=NC4=C(CCCC4)C(=O)N3N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC3=NC4=C(CCCC4)C(=O)N3N2

InChI

InChI=1S/C20H28N4O3/c1-20(2,3)27-19(26)23-10-6-7-13(12-23)16-11-17-21-15-9-5-4-8-14(15)18(25)24(17)22-16/h11,13,22H,4-10,12H2,1-3H3