(2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]-N-propylpropanamide Traditional Name: (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N-propyl-propionamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CCC1=C(N(N=C1C)C2=CC(=CC=C2)OC)C

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CCC1=C(N(N=C1C)C2=CC(=CC=C2)OC)C

InChI

InChI=1S/C21H30N4O3/c1-6-12-22-21(27)15(3)23-20(26)11-10-19-14(2)24-25(16(19)4)17-8-7-9-18(13-17)28-5/h7-9,13,15H,6,10-12H2,1-5H3,(H,22,27)(H,23,26)/t15-/m0/s1