[2-chloranyl-4-[3-[(4-methylperoxyphenyl)methylamino]-4H-quinazolin-2-yl]piperidin-4-yl] hydrogen carbonate

Systemtic Name: [2-chloranyl-4-[3-[(4-methylperoxyphenyl)methylamino]-4H-quinazolin-2-yl]piperidin-4-yl] hydrogen carbonate Openeye Name: [2-chloro-4-[3-[(4-methylperoxyphenyl)methylamino]-4H-quinazolin-2-yl]-4-piperidyl] hydrogen carbonate CAS Name: carbonic acid [2-chloro-4-[3-[(4-methyldioxyphenyl)methylamino]-4H-quinazolin-2-yl]-4-piperidinyl] ester IUPAC Name: [2-chloro-4-[3-[(4-methylperoxyphenyl)methylamino]-4H-quinazolin-2-yl]piperidin-4-yl] hydrogen carbonate Traditional Name: carbonic acid [2-chloro-4-[3-[(4-methylperoxybenzyl)amino]-4H-quinazolin-2-yl]-4-piperidyl] ester Formula: C22H25ClN4O5 MolecularWeight: 460.9107

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Descriptors Computed from Structure

Canonical SMILES:

COOC1=CC=C(C=C1)CNN2CC3=CC=CC=C3N=C2C4(CCNC(C4)Cl)OC(=O)O

Isomeric SMILES

COOC1=CC=C(C=C1)CNN2CC3=CC=CC=C3N=C2C4(CCNC(C4)Cl)OC(=O)O

InChI

InChI=1S/C22H25ClN4O5/c1-30-32-17-8-6-15(7-9-17)13-25-27-14-16-4-2-3-5-18(16)26-20(27)22(31-21(28)29)10-11-24-19(23)12-22/h2-9,19,24-25H,10-14H2,1H3,(H,28,29)