N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazino)ethyl]-3-nitro-benzamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3/c1-29(2)23-13-11-21(12-14-23)26(20-28-27(33)22-7-6-10-25(19-22)32(34)35)31-17-15-30(16-18-31)24-8-4-3-5-9-24/h3-14,19,26H,15-18,20H2,1-2H3,(H,28,33)