tert-butyl 4-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-7-oxidanylidene-1H-quinazolin-5-yl]oxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-7-oxidanylidene-1H-quinazolin-5-yl]oxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-oxo-1H-quinazolin-5-yl]oxy]piperidine-1-carboxylate CAS Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-oxo-1H-quinazolin-5-yl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-oxo-1H-quinazolin-5-yl]oxy]piperidine-1-carboxylate Traditional Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-keto-1H-quinazolin-5-yl]oxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H27ClN4O6 MolecularWeight: 514.95808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)C=C3C2=C(N=CN3)NC4=C(C=CC5=C4OCO5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)C=C3C2=C(N=CN3)NC4=C(C=CC5=C4OCO5)Cl

InChI

InChI=1S/C25H27ClN4O6/c1-25(2,3)36-24(32)30-8-6-15(7-9-30)35-19-11-14(31)10-17-20(19)23(28-12-27-17)29-21-16(26)4-5-18-22(21)34-13-33-18/h4-5,10-12,15,29H,6-9,13H2,1-3H3,(H,27,28)