(4-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[4-nitro-3-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-(4-nitro-3-pyrrolidino-phenyl)piperazino]methanone Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN4O3/c22-17-5-3-16(4-6-17)21(27)25-13-11-23(12-14-25)18-7-8-19(26(28)29)20(15-18)24-9-1-2-10-24/h3-8,15H,1-2,9-14H2