(1-phenyl-2-piperidin-1-yl-ethyl) 5-methyl-7-(3-nitrophenyl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (1-phenyl-2-piperidin-1-yl-ethyl) 5-methyl-7-(3-nitrophenyl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [1-phenyl-2-(1-piperidyl)ethyl] 5-methyl-7-(3-nitrophenyl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(3-nitrophenyl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid [1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (1-phenyl-2-piperidin-1-ylethyl) 5-methyl-7-(3-nitrophenyl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-(3-nitrophenyl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid (1-phenyl-2-piperidino-ethyl) ester Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)C=CN2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(CN4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N2C(=N1)C=CN2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(CN4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O4/c1-19-25(26(31-24(29-19)13-14-28-31)21-11-8-12-22(17-21)32(34)35)27(33)36-23(20-9-4-2-5-10-20)18-30-15-6-3-7-16-30/h2,4-5,8-14,17,23,26,28H,3,6-7,15-16,18H2,1H3