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

Systemtic Name: (4-tert-butylphenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C26H34N4O3 MolecularWeight: 450.57316

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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-])N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C26H34N4O3/c1-26(2,3)21-9-7-20(8-10-21)25(31)29-17-15-27(16-18-29)22-11-12-23(30(32)33)24(19-22)28-13-5-4-6-14-28/h7-12,19H,4-6,13-18H2,1-3H3