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

Systemtic Name: 3-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one Traditional Name: 3-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCCC4C5=CC6=C(C=C5)OCCCO6

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCC[C@H]4C5=CC6=C(C=C5)OCCCO6

InChI

InChI=1S/C29H27N3O4/c1-19-30-24-7-3-2-6-23(24)29(34)32(19)22-12-9-20(10-13-22)28(33)31-15-4-8-25(31)21-11-14-26-27(18-21)36-17-5-16-35-26/h2-3,6-7,9-14,18,25H,4-5,8,15-17H2,1H3/t25-/m0/s1