4-[(E)-[3,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-2-ylidene]methyl]-5-(furan-2-yl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-[3,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-2-ylidene]methyl]-5-(furan-2-yl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[3,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-2-ylidene]methyl]-5-(2-furyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)methyl]-2-pyrrolylidene]methyl]-5-(2-furanyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[3,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-2-ylidene]methyl]-5-(furan-2-yl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3,5-dimethyl-4-[(4-methylpiperazino)methyl]pyrrol-2-ylidene]methyl]-5-(2-furyl)-3-pyrazolin-3-one Formula: C20H25N5O2 MolecularWeight: 367.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=CC=CO3)C)CN4CCN(CC4)C

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3=CC=CO3)C)CN4CCN(CC4)C

InChI

InChI=1S/C20H25N5O2/c1-13-16(12-25-8-6-24(3)7-9-25)14(2)21-17(13)11-15-19(22-23-20(15)26)18-5-4-10-27-18/h4-5,10-11H,6-9,12H2,1-3H3,(H2,22,23,26)/b17-11+