3-nitro-N-[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-4-piperidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-benzoylpiperazino)phenyl]-3-nitro-4-piperidino-benzamide Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O4/c35-28(23-13-14-26(27(21-23)34(37)38)31-15-7-2-8-16-31)30-24-11-5-6-12-25(24)32-17-19-33(20-18-32)29(36)22-9-3-1-4-10-22/h1,3-6,9-14,21H,2,7-8,15-20H2,(H,30,35)