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

Systemtic Name: 4-[(Z)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidin-1-ylbutyl)pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidin-1-ylbutyl)pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[3-cyclopropyl-5-methyl-4-[4-(1-pyrrolidinyl)butyl]-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidin-1-ylbutyl)pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidinobutyl)pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C24H30N4OS MolecularWeight: 422.5862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=CC=CS3)C(=C1CCCCN4CCCC4)C5CC5

Isomeric SMILES

CC1=N/C(=C\C2=C(NNC2=O)C3=CC=CS3)/C(=C1CCCCN4CCCC4)C5CC5

InChI

InChI=1S/C24H30N4OS/c1-16-18(7-2-3-11-28-12-4-5-13-28)22(17-9-10-17)20(25-16)15-19-23(26-27-24(19)29)21-8-6-14-30-21/h6,8,14-15,17H,2-5,7,9-13H2,1H3,(H2,26,27,29)/b20-15-