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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-17-5-4-6-18(15-17)16-23-13-11-22(12-14-23)10-9-21(25)19-7-2-3-8-20(19)24(26)27/h2-10,15H,11-14,16H2,1H3/b10-9+