N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C23H19ClN4O2 MolecularWeight: 418.87556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)Cl)OC1

InChI

InChI=1S/C23H19ClN4O2/c24-18-11-15(12-20-21(18)30-10-4-9-29-20)13-26-23-17-6-1-2-7-19(17)27-22(28-23)16-5-3-8-25-14-16/h1-3,5-8,11-12,14H,4,9-10,13H2,(H,26,27,28)