N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O2/c1-15-9-10-19(16(2)13-15)17(3)22-21(25)20-11-12-24(23-20)14-26-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,22,25)/t17-/m0/s1