N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-[4-(4-p-toluoylpiperazino)phenyl]benzamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C31H35N5O4/c1-22-3-5-24(6-4-22)31(38)35-19-17-33(18-20-35)27-10-8-26(9-11-27)32-30(37)25-7-12-28(29(21-25)36(39)40)34-15-13-23(2)14-16-34/h3-12,21,23H,13-20H2,1-2H3,(H,32,37)