2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-1-[(3S)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-1-[(3S)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]-1-[(5S)-5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C25H29N3O4S/c1-4-27(16-18-10-11-22(31-5-2)23(14-18)30-3)17-25(29)28-20(21-8-6-12-32-21)15-19(26-28)24-9-7-13-33-24/h6-14,20H,4-5,15-17H2,1-3H3/t20-/m0/s1