2-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C(=C1)Cl)OCCCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN(CC1=CC2=C(C(=C1)Cl)OCCCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22ClN3O3/c1-2-25(13-19-23-17-7-4-3-6-15(17)21(26)24-19)12-14-10-16(22)20-18(11-14)27-8-5-9-28-20/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H,23,24,26)