N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-[3-(1-piperidyl)propoxy]-5-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-oxanyloxy)-7-[3-(1-piperidinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[7-(3-piperidinopropoxy)-5-tetrahydropyran-4-yloxy-quinazolin-4-yl]amine Formula: C28H33ClN4O5 MolecularWeight: 541.03842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

InChI

InChI=1S/C28H33ClN4O5/c29-21-5-6-23-27(37-18-36-23)26(21)32-28-25-22(30-17-31-28)15-20(16-24(25)38-19-7-13-34-14-8-19)35-12-4-11-33-9-2-1-3-10-33/h5-6,15-17,19H,1-4,7-14,18H2,(H,30,31,32)