3-[2-oxidanylidene-2-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-[7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[7-[2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[7-(2-hydroxy-4-pyrazol-1-ylbutan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-keto-ethyl]quinazolin-4-one Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CN4C=NC5=CC=CC=C5C4=O)O

Isomeric SMILES

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CN4C=NC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C26H27N5O4/c1-26(34,9-12-31-11-4-10-28-31)20-7-8-23-19(15-20)16-29(13-14-35-23)24(32)17-30-18-27-22-6-3-2-5-21(22)25(30)33/h2-8,10-11,15,18,34H,9,12-14,16-17H2,1H3