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

Systemtic Name: (S)-[4-(1-phenethylpiperidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-yl-methanol Openeye Name: (S)-[4-(1-phenethyl-4-piperidyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridyl)methanol CAS Name: (S)-[4-(1-phenethyl-4-piperidinyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridinyl)methanol IUPAC Name: (S)-[4-(1-phenethylpiperidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol Traditional Name: (S)-[4-(1-phenethyl-4-piperidyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridyl)methanol Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCOC3=C(C2)C=C(C=C3)C(C4=CN=CC=C4)O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2CCOC3=C(C2)C=C(C=C3)[C@@H](C4=CN=CC=C4)O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O2/c32-28(24-7-4-13-29-20-24)23-8-9-27-25(19-23)21-31(17-18-33-27)26-11-15-30(16-12-26)14-10-22-5-2-1-3-6-22/h1-9,13,19-20,26,28,32H,10-12,14-18,21H2/t28-/m0/s1