(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C=CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C/C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N5O2/c1-17-15-19(18(2)27(17)16-20-5-3-14-29-20)6-7-21(28)25-10-12-26(13-11-25)22-23-8-4-9-24-22/h3-9,14-15H,10-13,16H2,1-2H3/b7-6+