N-[1-[2-oxidanylidene-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenoxy-acetamide CAS Name: N-[1-[2-oxo-2-(4-phenyl-1-azepanyl)ethyl]-4-pyrazolyl]-2-phenoxyacetamide IUPAC Name: N-[1-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenoxyacetamide Traditional Name: N-[1-[2-keto-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenoxy-acetamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)CN2C=C(C=N2)NC(=O)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)C(=O)CN2C=C(C=N2)NC(=O)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c30-24(19-32-23-11-5-2-6-12-23)27-22-16-26-29(17-22)18-25(31)28-14-7-10-21(13-15-28)20-8-3-1-4-9-20/h1-6,8-9,11-12,16-17,21H,7,10,13-15,18-19H2,(H,27,30)