N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(4-piperidylmethoxy)quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(4-piperidinylmethoxy)-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[6-methoxy-7-(4-piperidylmethoxy)quinazolin-4-yl]amine Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5CCNCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5CCNCC5

InChI

InChI=1S/C22H23ClN4O4/c1-28-18-8-14-16(9-19(18)29-10-13-4-6-24-7-5-13)25-11-26-22(14)27-20-15(23)2-3-17-21(20)31-12-30-17/h2-3,8-9,11,13,24H,4-7,10,12H2,1H3,(H,25,26,27)