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

Systemtic Name: 3-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(4-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=C(C=C2)Cl)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O5/c23-17-5-3-16(4-6-17)15-24-10-12-25(13-11-24)21(28)2-1-9-26-19-8-7-18(27(30)31)14-20(19)32-22(26)29/h3-8,14H,1-2,9-13,15H2