tert-butyl 4-[7-(3-oxidanylidenepiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-(3-oxidanylidenepiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[7-(3-oxopiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate CAS Name: 4-[7-(3-oxo-1-piperazinyl)-4-quinazolinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(3-oxopiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[7-(3-ketopiperazino)quinazolin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=NC3=C2C=CC(=C3)N4CCNC(=O)C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=NC3=C2C=CC(=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H29N5O3/c1-22(2,3)30-21(29)26-9-6-15(7-10-26)20-17-5-4-16(12-18(17)24-14-25-20)27-11-8-23-19(28)13-27/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,23,28)