methyl (3aR,4S)-6-oxidanylidene-4-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate

Systemtic Name: methyl (3aR,4S)-6-oxidanylidene-4-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate Openeye Name: methyl (3aR,4S)-6-oxo-4-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate CAS Name: (3aR,4S)-6-oxo-4-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4S)-6-oxo-4-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate Traditional Name: (3aR,4S)-6-keto-4-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylic acid methyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2C(C1)C(OC(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NN2[C@H](C1)[C@@H](OC(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C19H16N2O4/c1-24-19(23)14-11-16-17(12-7-3-2-4-8-12)25-18(22)13-9-5-6-10-15(13)21(16)20-14/h2-10,16-17H,11H2,1H3/t16-,17+/m1/s1