(4-tert-butylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-(4-tert-butylphenyl)methanone Formula: C24H30N4O3 MolecularWeight: 422.52

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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-])NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-5-12-25-21-17-20(10-11-22(21)28(30)31)26-13-15-27(16-14-26)23(29)18-6-8-19(9-7-18)24(2,3)4/h5-11,17,25H,1,12-16H2,2-4H3