(1S,6S)-6-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C20H21BrN3O3- MolecularWeight: 431.30304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=CC(=C2)C3=NN(C=C3Br)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=CC(=C2)C3=NN(C=C3Br)C)C(=O)[O-])C

InChI

InChI=1S/C20H22BrN3O3/c1-11-7-15(16(20(26)27)8-12(11)2)19(25)22-14-6-4-5-13(9-14)18-17(21)10-24(3)23-18/h4-6,9-10,15-16H,7-8H2,1-3H3,(H,22,25)(H,26,27)/p-1/t15-,16-/m0/s1