(E)-1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H27N5O3/c1-15(2)21-16(3)23-17(4)24-22(21)26-13-11-25(12-14-26)20(28)10-7-18-5-8-19(9-6-18)27(29)30/h5-10,15H,11-14H2,1-4H3/b10-7+