6-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-6-fluoro-quinazolin-4-one CAS Name: 6-fluoro-3-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-6-fluoroquinazolin-4-one Traditional Name: 3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-6-fluoro-quinazolin-4-one Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C22H23FN4O2/c23-18-7-8-20-19(13-18)22(29)27(16-24-20)15-21(28)26-10-4-9-25(11-12-26)14-17-5-2-1-3-6-17/h1-3,5-8,13,16H,4,9-12,14-15H2