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

Systemtic Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-p-cumenyl-methanone Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-4-11-24-21-16-20(9-10-22(21)27(29)30)25-12-14-26(15-13-25)23(28)19-7-5-18(6-8-19)17(2)3/h4-10,16-17,24H,1,11-15H2,2-3H3