(E)-3-(1-phenylpyrazol-4-yl)-1-[(2R)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[(2R)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one CAS Name: (E)-1-[(2R)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C=CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H]2CN(C3=CC=CC=C3O2)C(=O)/C=C/C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3/c31-25(14-13-20-17-27-30(18-20)21-9-3-1-4-10-21)29-19-24(26(32)28-15-7-2-8-16-28)33-23-12-6-5-11-22(23)29/h1,3-6,9-14,17-18,24H,2,7-8,15-16,19H2/b14-13+/t24-/m1/s1