methyl 4-[phenyl(prop-2-enoyl)amino]-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-[phenyl(prop-2-enoyl)amino]-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(N-prop-2-enoylanilino)-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxoprop-2-enyl)anilino]-1-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(N-prop-2-enoylanilino)-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate Traditional Name: 4-(N-acryloylanilino)-1-(2-pyrazol-1-ylethyl)isonipecotic acid methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CCN2C=CC=N2)N(C3=CC=CC=C3)C(=O)C=C

Isomeric SMILES

COC(=O)C1(CCN(CC1)CCN2C=CC=N2)N(C3=CC=CC=C3)C(=O)C=C

InChI

InChI=1S/C21H26N4O3/c1-3-19(26)25(18-8-5-4-6-9-18)21(20(27)28-2)10-14-23(15-11-21)16-17-24-13-7-12-22-24/h3-9,12-13H,1,10-11,14-17H2,2H3