3-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[7-(4-morpholin-4-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]quinazolin-4-one Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1COCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H26N4O4/c29-23(16-28-17-25-21-4-2-1-3-20(21)24(28)30)27-9-12-32-22-6-5-18(13-19(22)15-27)14-26-7-10-31-11-8-26/h1-6,13,17H,7-12,14-16H2/p+1