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

Systemtic Name: 6-chloranyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-6-chloro-1,4-benzoxazin-3-one CAS Name: 6-chloro-4-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one Traditional Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-6-chloro-1,4-benzoxazin-3-one Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O3/c23-18-7-8-20-19(13-18)26(22(28)16-29-20)15-21(27)25-10-4-9-24(11-12-25)14-17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2