N-[1-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide

Systemtic Name: N-[1-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide Openeye Name: N-[1-[2-(isochroman-1-ylmethylamino)-2-oxo-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide CAS Name: N-[1-[2-(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-2-oxoethyl]-4-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[1-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide Traditional Name: N-[1-[2-(isochroman-1-ylmethylamino)-2-keto-ethyl]pyrazol-4-yl]-3-phenoxy-propionamide Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)CN3C=C(C=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC(=O)CN3C=C(C=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c29-23(11-13-31-20-7-2-1-3-8-20)27-19-14-26-28(16-19)17-24(30)25-15-22-21-9-5-4-6-18(21)10-12-32-22/h1-9,14,16,22H,10-13,15,17H2,(H,25,30)(H,27,29)