(6aS)-2-methoxy-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-diol

Systemtic Name: (6aS)-2-methoxy-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-diol Openeye Name: (6aS)-2-methoxy-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-diol CAS Name: (6aS)-2-methoxy-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-diol IUPAC Name: (6aS)-2-methoxy-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-diol Traditional Name: (6aS)-2-methoxy-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-diol Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N3CCCC3C=N2)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N3CCC[C@H]3C=N2)O)O

InChI

InChI=1S/C13H16N2O3/c1-18-12-5-9-10(6-11(12)16)14-7-8-3-2-4-15(8)13(9)17/h5-8,13,16-17H,2-4H2,1H3/t8-,13?/m0/s1