1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[(1S)-1-phenylethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide Formula: C18H20BrN5O MolecularWeight: 402.2883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC(C)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N[C@@H](C)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C18H20BrN5O/c1-12(15-7-5-4-6-8-15)20-18(25)16-9-10-23(22-16)11-24-14(3)17(19)13(2)21-24/h4-10,12H,11H2,1-3H3,(H,20,25)/t12-/m0/s1