but-2-ynyl N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamate

Systemtic Name: but-2-ynyl N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamate Openeye Name: but-2-ynyl N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamate CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]carbamic acid but-2-ynyl ester IUPAC Name: but-2-ynyl N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamate Traditional Name: N-[1-(3-cyanobenzyl)pyrazol-4-yl]carbamic acid but-2-ynyl ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)NC1=CN(N=C1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC#CCOC(=O)NC1=CN(N=C1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H14N4O2/c1-2-3-7-22-16(21)19-15-10-18-20(12-15)11-14-6-4-5-13(8-14)9-17/h4-6,8,10,12H,7,11H2,1H3,(H,19,21)