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

Systemtic Name: 3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(m-tolylmethyl)piperazin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(3-methylbenzyl)piperazino]butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H26N4O5/c1-17-4-2-5-18(14-17)16-24-10-12-25(13-11-24)22(28)6-3-9-26-20-8-7-19(27(30)31)15-21(20)32-23(26)29/h2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3