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

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[4-[4-(m-tolyl)piperazino]butyl]butyramide Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C26H33N5O5/c1-20-6-4-7-21(18-20)29-16-14-28(15-17-29)12-3-2-11-27-25(32)8-5-13-30-23-10-9-22(31(34)35)19-24(23)36-26(30)33/h4,6-7,9-10,18-19H,2-3,5,8,11-17H2,1H3,(H,27,32)