2-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-keto-propyl]-1H-quinazolin-4-one Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4)OC1

InChI

InChI=1S/C24H26N4O6S/c29-23(9-8-22-25-19-5-2-1-4-18(19)24(30)26-22)27-10-12-28(13-11-27)35(31,32)17-6-7-20-21(16-17)34-15-3-14-33-20/h1-2,4-7,16H,3,8-15H2,(H,25,26,30)