4-[(Z)-[5-methyl-4-(4-piperidin-1-ylbutyl)-3-propan-2-yl-pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(Z)-[5-methyl-4-(4-piperidin-1-ylbutyl)-3-propan-2-yl-pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[3-isopropyl-5-methyl-4-[4-(1-piperidyl)butyl]pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[5-methyl-4-[4-(1-piperidinyl)butyl]-3-propan-2-yl-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[5-methyl-4-(4-piperidin-1-ylbutyl)-3-propan-2-ylpyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[3-isopropyl-5-methyl-4-(4-piperidinobutyl)pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C25H34N4OS MolecularWeight: 438.62866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=CC=CS3)C(=C1CCCCN4CCCCC4)C(C)C

Isomeric SMILES

CC1=N/C(=C\C2=C(NNC2=O)C3=CC=CS3)/C(=C1CCCCN4CCCCC4)C(C)C

InChI

InChI=1S/C25H34N4OS/c1-17(2)23-19(10-5-8-14-29-12-6-4-7-13-29)18(3)26-21(23)16-20-24(27-28-25(20)30)22-11-9-15-31-22/h9,11,15-17H,4-8,10,12-14H2,1-3H3,(H2,27,28,30)/b21-16-