[4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[3-(3-methyl-1-indolyl)-1-oxopropyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CCC(=O)NC3=CN(N=C3)COC(=O)C(C)(C)C

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CCC(=O)NC3=CN(N=C3)COC(=O)C(C)(C)C

InChI

InChI=1S/C21H26N4O3/c1-15-12-24(18-8-6-5-7-17(15)18)10-9-19(26)23-16-11-22-25(13-16)14-28-20(27)21(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3,(H,23,26)