1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(quinazolin-4-ylthio)ethanone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H23N3O3S/c27-22(14-30-23-17-5-1-2-6-18(17)24-15-25-23)26-10-3-7-19(26)16-8-9-20-21(13-16)29-12-4-11-28-20/h1-2,5-6,8-9,13,15,19H,3-4,7,10-12,14H2