(4-bromophenyl)-[4-[4-nitro-3-(4-phenylbutan-2-ylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[4-nitro-3-(4-phenylbutan-2-ylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[3-[(1-methyl-3-phenyl-propyl)amino]-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[4-nitro-3-(4-phenylbutan-2-ylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-[4-nitro-3-(4-phenylbutan-2-ylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-[3-[(1-methyl-3-phenyl-propyl)amino]-4-nitro-phenyl]piperazino]methanone Formula: C27H29BrN4O3 MolecularWeight: 537.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C27H29BrN4O3/c1-20(7-8-21-5-3-2-4-6-21)29-25-19-24(13-14-26(25)32(34)35)30-15-17-31(18-16-30)27(33)22-9-11-23(28)12-10-22/h2-6,9-14,19-20,29H,7-8,15-18H2,1H3