(3R)-N-butyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-butyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-butyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O4/c1-2-3-12-25(13-20-23-16-9-5-4-8-15(16)21(26)24-20)22(27)19-14-28-17-10-6-7-11-18(17)29-19/h4-11,19H,2-3,12-14H2,1H3,(H,23,24,26)/t19-/m1/s1