N-[1-[2-(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[1-[2-(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]pyrazol-4-yl]-2-phenoxy-acetamide CAS Name: N-[1-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-pyrazolyl]-2-phenoxyacetamide IUPAC Name: N-[1-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenoxyacetamide Traditional Name: N-[1-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]pyrazol-4-yl]-2-phenoxy-acetamide Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)Cl)C(=O)CN3C=C(C=N3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)Cl)C(=O)CN3C=C(C=N3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O3/c23-20-8-4-5-16-12-26(10-9-19(16)20)22(29)14-27-13-17(11-24-27)25-21(28)15-30-18-6-2-1-3-7-18/h1-8,11,13H,9-10,12,14-15H2,(H,25,28)