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

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(piperidin-4-ylmethoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-piperidylmethoxy)quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-piperidinylmethoxy)-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(piperidin-4-ylmethoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[5-(4-piperidylmethoxy)quinazolin-4-yl]amine Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC5=C4OCO5)Cl

Isomeric SMILES

C1CNCCC1COC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC5=C4OCO5)Cl

InChI

InChI=1S/C21H21ClN4O3/c22-14-4-5-17-20(29-12-28-17)19(14)26-21-18-15(24-11-25-21)2-1-3-16(18)27-10-13-6-8-23-9-7-13/h1-5,11,13,23H,6-10,12H2,(H,24,25,26)