tert-butyl 2-azanylethanoate; 4-[3-(4-chlorophenyl)-4-cyclohexyl-pyrazol-4-yl]pyridine

Systemtic Name: tert-butyl 2-azanylethanoate; 4-[3-(4-chlorophenyl)-4-cyclohexyl-pyrazol-4-yl]pyridine Openeye Name: tert-butyl 2-aminoacetate; 4-[3-(4-chlorophenyl)-4-cyclohexyl-pyrazol-4-yl]pyridine CAS Name: 2-aminoacetic acid tert-butyl ester; 4-[3-(4-chlorophenyl)-4-cyclohexyl-4-pyrazolyl]pyridine IUPAC Name: tert-butyl 2-aminoacetate; 4-[3-(4-chlorophenyl)-4-cyclohexylpyrazol-4-yl]pyridine Traditional Name: 2-aminoacetic acid tert-butyl ester; 4-[3-(4-chlorophenyl)-4-cyclohexyl-pyrazol-4-yl]pyridine Formula: C26H33ClN4O2 MolecularWeight: 469.01882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN.C1CCC(CC1)C2(C=NN=C2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN.C1CCC(CC1)C2(C=NN=C2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C20H20ClN3.C6H13NO2/c21-18-8-6-15(7-9-18)19-20(14-23-24-19,16-4-2-1-3-5-16)17-10-12-22-13-11-17;1-6(2,3)9-5(8)4-7/h6-14,16H,1-5H2;4,7H2,1-3H3