2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanyl-3-isopropyl-quinazolin-4-one CAS Name: 2-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]thio]-3-isopropyl-quinazolin-4-one Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H29N3O4S/c1-17(2)29-25(31)19-7-3-4-8-20(19)27-26(29)34-16-24(30)28-12-5-9-21(28)18-10-11-22-23(15-18)33-14-6-13-32-22/h3-4,7-8,10-11,15,17,21H,5-6,9,12-14,16H2,1-2H3