2-[2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[2-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[2-[4-(3-chlorobenzoyl)piperazino]-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2C(=O)NC3=CC=CC=C3O2)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CC2C(=O)NC3=CC=CC=C3O2)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O4/c22-15-5-3-4-14(12-15)21(28)25-10-8-24(9-11-25)19(26)13-18-20(27)23-16-6-1-2-7-17(16)29-18/h1-7,12,18H,8-11,13H2,(H,23,27)