tert-butyl 4-[6-(4-methylpiperazin-1-yl)-2-oxidanylidene-1,4-dihydroquinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(4-methylpiperazin-1-yl)-2-oxidanylidene-1,4-dihydroquinazolin-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-(4-methylpiperazin-1-yl)-2-oxo-1,4-dihydroquinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[6-(4-methyl-1-piperazinyl)-2-oxo-1,4-dihydroquinazolin-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(4-methylpiperazin-1-yl)-2-oxo-1,4-dihydroquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-keto-6-(4-methylpiperazino)-1,4-dihydroquinazolin-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2CC3=C(C=CC(=C3)N4CCN(CC4)C)NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2CC3=C(C=CC(=C3)N4CCN(CC4)C)NC2=O

InChI

InChI=1S/C23H35N5O3/c1-23(2,3)31-22(30)27-9-7-18(8-10-27)28-16-17-15-19(5-6-20(17)24-21(28)29)26-13-11-25(4)12-14-26/h5-6,15,18H,7-14,16H2,1-4H3,(H,24,29)