N-[3-(cyclohexylcarbamoyl)-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)-3-(cyclohexylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)-3-(cyclohexylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazino)-3-(cyclohexylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C32H37N5O4 MolecularWeight: 555.66728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C32H37N5O4/c1-23-12-13-25(20-30(23)37(40)41)31(38)34-27-14-15-29(28(21-27)32(39)33-26-10-6-3-7-11-26)36-18-16-35(17-19-36)22-24-8-4-2-5-9-24/h2,4-5,8-9,12-15,20-21,26H,3,6-7,10-11,16-19,22H2,1H3,(H,33,39)(H,34,38)