N-[1-[2-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-2-oxidanylidene-ethyl]pyrazol-4-yl]furan-2-carboxamide

Systemtic Name: N-[1-[2-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-2-oxidanylidene-ethyl]pyrazol-4-yl]furan-2-carboxamide Openeye Name: N-[1-[2-[[(1S)-isochroman-1-yl]methylamino]-2-oxo-ethyl]pyrazol-4-yl]furan-2-carboxamide CAS Name: N-[1-[2-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methylamino]-2-oxoethyl]-4-pyrazolyl]-2-furancarboxamide IUPAC Name: N-[1-[2-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-2-oxoethyl]pyrazol-4-yl]furan-2-carboxamide Traditional Name: N-[1-[2-[[(1S)-isochroman-1-yl]methylamino]-2-keto-ethyl]pyrazol-4-yl]-2-furamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)CN3C=C(C=N3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CNC(=O)CN3C=C(C=N3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H20N4O4/c25-19(21-11-18-16-5-2-1-4-14(16)7-9-28-18)13-24-12-15(10-22-24)23-20(26)17-6-3-8-27-17/h1-6,8,10,12,18H,7,9,11,13H2,(H,21,25)(H,23,26)/t18-/m1/s1