1,3,9-trimethyl-4-prop-2-ynyl-pyrazolo[3,4-b][1,4]benzoxazepin-5-one

Systemtic Name: 1,3,9-trimethyl-4-prop-2-ynyl-pyrazolo[3,4-b][1,4]benzoxazepin-5-one Openeye Name: 1,3,9-trimethyl-4-prop-2-ynyl-pyrazolo[3,4-b][1,4]benzoxazepin-5-one CAS Name: 1,3,9-trimethyl-4-prop-2-ynyl-5-pyrazolo[3,4-b][1,4]benzoxazepinone IUPAC Name: 1,3,9-trimethyl-4-prop-2-ynylpyrazolo[3,4-b][1,4]benzoxazepin-5-one Traditional Name: 1,3,9-trimethyl-4-propargyl-pyrazolo[3,4-b][1,4]benzoxazepin-5-one Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=C(C(=NN3C)C)N(C2=O)CC#C

Isomeric SMILES

CC1=CC=CC2=C1OC3=C(C(=NN3C)C)N(C2=O)CC#C

InChI

InChI=1S/C16H15N3O2/c1-5-9-19-13-11(3)17-18(4)16(13)21-14-10(2)7-6-8-12(14)15(19)20/h1,6-8H,9H2,2-4H3