N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methyl-4-oxo-3-quinazolinyl)benzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-keto-2-methyl-quinazolin-3-yl)benzamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H21N3O4/c1-16-27-21-7-3-2-6-20(21)25(30)28(16)18-12-10-17(11-13-18)24(29)26-14-19-15-31-22-8-4-5-9-23(22)32-19/h2-13,19H,14-15H2,1H3,(H,26,29)/t19-/m0/s1