[4-[3-(1H-indol-3-yl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(1H-indol-3-yl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-(1H-indol-3-yl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(1H-indol-3-yl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[3-(1H-indol-3-yl)acryloyl]amino]pyrazol-1-yl]methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C=CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C=CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H22N4O3/c1-20(2,3)19(26)27-13-24-12-15(11-22-24)23-18(25)9-8-14-10-21-17-7-5-4-6-16(14)17/h4-12,21H,13H2,1-3H3,(H,23,25)