3-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(3-chlorobenzyl)piperazino]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H23ClN4O5 MolecularWeight: 458.89482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H23ClN4O5/c23-17-4-1-3-16(13-17)15-24-9-11-25(12-10-24)21(28)5-2-8-26-19-7-6-18(27(30)31)14-20(19)32-22(26)29/h1,3-4,6-7,13-14H,2,5,8-12,15H2