1-[(2S)-7-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 1-[(2S)-7-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(4-benzyl-1-piperidyl)-1-[(2S)-7-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 1-[(2S)-7-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperidin-1-yl)-1-[(2S)-7-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 3-(4-benzylpiperidino)-1-[(2S)-7-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C26H34N2O3 MolecularWeight: 422.55976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)OC)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=CC(=C2)OC)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3/c1-20-18-28(19-23-17-24(30-2)8-9-25(23)31-20)26(29)12-15-27-13-10-22(11-14-27)16-21-6-4-3-5-7-21/h3-9,17,20,22H,10-16,18-19H2,1-2H3/t20-/m0/s1