7-bromanyl-4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 7-bromanyl-4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 7-bromo-4-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one CAS Name: 7-bromo-4-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 7-bromo-4-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Traditional Name: 7-bromo-4-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C20H22BrN3O3S/c21-15-4-5-17-18(11-15)27-14-20(26)24(17)13-19(25)23-7-2-6-22(8-9-23)12-16-3-1-10-28-16/h1,3-5,10-11H,2,6-9,12-14H2