N-[(2S)-butan-2-yl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[(1S)-1-methylpropyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-[(1S)-1-methylpropyl]-1-phenyl-pyrazole-4-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-4-15(2)22-21(25)19-14-24(17-8-6-5-7-9-17)23-20(19)16-10-12-18(26-3)13-11-16/h5-15H,4H2,1-3H3,(H,22,25)/t15-/m0/s1