tert-butyl 4-[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3-chloro-4-methyl-phenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(3-chloro-4-methylanilino)-oxomethyl]-2-(4-nitrophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3-chloro-4-methylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-chloro-4-methyl-phenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H30ClN5O5 MolecularWeight: 540.0106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCN(CC4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCN(CC4)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C27H30ClN5O5/c1-17-5-6-19(15-23(17)28)30-25(34)22-16-29-32(20-7-9-21(10-8-20)33(36)37)24(22)18-11-13-31(14-12-18)26(35)38-27(2,3)4/h5-10,15-16,18H,11-14H2,1-4H3,(H,30,34)