(E)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(2-nitrophenyl)-3-[4-(p-tolylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(4-methylbenzyl)piperazino]-1-(2-nitrophenyl)prop-2-en-1-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C=CC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)/C=C/C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-17-6-8-18(9-7-17)16-23-14-12-22(13-15-23)11-10-21(25)19-4-2-3-5-20(19)24(26)27/h2-11H,12-16H2,1H3/b11-10+