3-acetamido-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(2-thienyl)propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCC1=CN(N=C1)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NCCC1=CN(N=C1)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H22N4O2S/c1-15(25)23-18(19-8-5-11-27-19)12-20(26)21-10-9-16-13-22-24(14-16)17-6-3-2-4-7-17/h2-8,11,13-14,18H,9-10,12H2,1H3,(H,21,26)(H,23,25)