(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C22H24ClN4O4+ MolecularWeight: 443.90336

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23ClN4O4/c1-2-27(12-20-25-17-10-14(23)4-6-16(17)22(29)26-20)13-21(28)24-15-5-7-18-19(11-15)31-9-3-8-30-18/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,24,28)(H,25,26,29)/p+1