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

Systemtic Name: 2-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxo-propyl]-3-methyl-quinazolin-4-one CAS Name: 2-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-oxopropyl]-3-methyl-4-quinazolinone IUPAC Name: 2-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one Traditional Name: 2-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-keto-propyl]-3-methyl-quinazolin-4-one Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H27N3O4/c1-27-23(26-19-7-3-2-6-18(19)25(27)30)11-12-24(29)28-13-4-8-20(28)17-9-10-21-22(16-17)32-15-5-14-31-21/h2-3,6-7,9-10,16,20H,4-5,8,11-15H2,1H3/t20-/m0/s1