(E)-3-(3-azanyl-4-methyl-phenyl)-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-azanyl-4-methyl-phenyl)-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(3-amino-4-methyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-(3-amino-4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(3-amino-4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-(3-amino-4-methyl-phenyl)prop-2-en-1-one Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C(=O)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C)N

InChI

InChI=1S/C16H21N3O2/c1-12-3-4-14(11-15(12)17)5-6-16(21)19-9-7-18(8-10-19)13(2)20/h3-6,11H,7-10,17H2,1-2H3/b6-5+