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

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-7-ethoxy-5-piperidin-4-yloxy-quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-ethoxy-5-(4-piperidyloxy)quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-ethoxy-5-(4-piperidinyloxy)-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-ethoxy-5-piperidin-4-yloxyquinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[7-ethoxy-5-(4-piperidyloxy)quinazolin-4-yl]amine Formula: C22H23ClN4O4 MolecularWeight: 442.89542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC4=C3OCO4)Cl)OC5CCNCC5

Isomeric SMILES

CCOC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC4=C3OCO4)Cl)OC5CCNCC5

InChI

InChI=1S/C22H23ClN4O4/c1-2-28-14-9-16-19(18(10-14)31-13-5-7-24-8-6-13)22(26-11-25-16)27-20-15(23)3-4-17-21(20)30-12-29-17/h3-4,9-11,13,24H,2,5-8,12H2,1H3,(H,25,26,27)