(2-chlorophenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-chlorophenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-chlorophenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone CAS Name: (2-chlorophenyl)-[4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-chlorophenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Traditional Name: (2-chlorophenyl)-[4-[4-nitro-3-(4-phenylpiperazino)phenyl]piperazino]methanone Formula: C27H28ClN5O3 MolecularWeight: 505.99592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H28ClN5O3/c28-24-9-5-4-8-23(24)27(34)32-18-14-30(15-19-32)22-10-11-25(33(35)36)26(20-22)31-16-12-29(13-17-31)21-6-2-1-3-7-21/h1-11,20H,12-19H2