N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O4/c1-15-6-4-7-17-21(15)24-14-25(22(17)27)11-5-10-20(26)23-12-16-13-28-18-8-2-3-9-19(18)29-16/h2-4,6-9,14,16H,5,10-13H2,1H3,(H,23,26)/t16-/m0/s1