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

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazinyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazino)ethyl]-4-methyl-3-nitro-benzamide Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O3/c1-21-9-10-23(19-26(21)33(35)36)28(34)29-20-27(22-11-13-24(14-12-22)30(2)3)32-17-15-31(16-18-32)25-7-5-4-6-8-25/h4-14,19,27H,15-18,20H2,1-3H3,(H,29,34)