(E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C23H31N5O MolecularWeight: 393.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C/C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H31N5O/c1-18-17-20(19(2)28(18)21-7-4-3-5-8-21)9-10-22(29)26-13-15-27(16-14-26)23-24-11-6-12-25-23/h6,9-12,17,21H,3-5,7-8,13-16H2,1-2H3/b10-9+