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

Systemtic Name: (4-tert-butylphenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(4-nitro-3-pyrrolidino-phenyl)piperazino]methanone Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C25H32N4O3/c1-25(2,3)20-8-6-19(7-9-20)24(30)28-16-14-26(15-17-28)21-10-11-22(29(31)32)23(18-21)27-12-4-5-13-27/h6-11,18H,4-5,12-17H2,1-3H3