(4-tert-butylphenyl)-[4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(2-methyl-4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(2-methyl-4-nitro-phenyl)piperazino]methanone Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H27N3O3/c1-16-15-19(25(27)28)9-10-20(16)23-11-13-24(14-12-23)21(26)17-5-7-18(8-6-17)22(2,3)4/h5-10,15H,11-14H2,1-4H3