tert-butyl 4-[[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-keto-3-(o-tolyl)quinazolin-2-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N4O3/c1-18-9-5-8-12-21(18)29-22(26-20-11-7-6-10-19(20)23(29)30)17-27-13-15-28(16-14-27)24(31)32-25(2,3)4/h5-12H,13-17H2,1-4H3