1-thiophen-3-ylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 1-thiophen-3-ylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 1-(3-thienyl)ethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid 1-(3-thiophenyl)ethyl ester IUPAC Name: 1-thiophen-3-ylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid 1-(3-thienyl)ethyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC(C)C5=CSC=C5

Isomeric SMILES

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC(C)C5=CSC=C5

InChI

InChI=1S/C26H28N4O4S/c1-15-21(26(31)34-16(2)18-12-13-35-14-18)22(19-10-6-7-11-20(19)30(32)33)23-24(17-8-4-5-9-17)28-29(3)25(23)27-15/h6-7,10-14,16-17,22,28H,4-5,8-9H2,1-3H3