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

Systemtic Name: 2-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C20H20ClN3O3 MolecularWeight: 385.8441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3/c1-24(12-18-22-16-6-3-2-5-14(16)20(25)23-18)11-13-9-15(21)19-17(10-13)26-7-4-8-27-19/h2-3,5-6,9-10H,4,7-8,11-12H2,1H3,(H,22,23,25)