(S)-[4-(1,3-benzodioxol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-yl-methanol

Systemtic Name: (S)-[4-(1,3-benzodioxol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-yl-methanol Openeye Name: (S)-[4-(1,3-benzodioxol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridyl)methanol CAS Name: (S)-[4-(1,3-benzodioxol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridinyl)methanol IUPAC Name: (S)-[4-(1,3-benzodioxol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol Traditional Name: (S)-[4-(1,3-benzodioxol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridyl)methanol Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=C4C(=CC=C3)OCO4)C=C(C=C2)C(C5=CN=CC=C5)O

Isomeric SMILES

C1COC2=C(CN1CC3=C4C(=CC=C3)OCO4)C=C(C=C2)[C@@H](C5=CN=CC=C5)O

InChI

InChI=1S/C23H22N2O4/c26-22(17-4-2-8-24-12-17)16-6-7-20-19(11-16)14-25(9-10-27-20)13-18-3-1-5-21-23(18)29-15-28-21/h1-8,11-12,22,26H,9-10,13-15H2/t22-/m0/s1