tert-butyl 4-[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]quinazolin-5-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]quinazolin-5-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]quinazolin-5-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-quinazolinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]quinazolin-5-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]quinazolin-5-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C25H27ClN4O5 MolecularWeight: 498.95868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC5=C4OCO5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC5=C4OCO5)Cl

InChI

InChI=1S/C25H27ClN4O5/c1-25(2,3)35-24(31)30-11-9-15(10-12-30)34-18-6-4-5-17-20(18)23(28-13-27-17)29-21-16(26)7-8-19-22(21)33-14-32-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,27,28,29)