N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(2-propoxyphenyl)quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(2-propoxyphenyl)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(2-propoxyphenyl)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(2-propoxyphenyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(2-propoxyphenyl)quinazolin-4-amine Traditional Name: [6-chloro-2-(2-propoxyphenyl)quinazolin-4-yl]-piperonyl-amine Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22ClN3O3/c1-2-11-30-21-6-4-3-5-18(21)25-28-20-9-8-17(26)13-19(20)24(29-25)27-14-16-7-10-22-23(12-16)32-15-31-22/h3-10,12-13H,2,11,14-15H2,1H3,(H,27,28,29)