1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-[4-(4-phenoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-[4-(4-phenoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-[4-(4-phenoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-[4-(4-phenoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-[4-(4-phenoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-[4-(4-phenoxyphenyl)piperazino]butan-1-one Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2OC1)C(=O)CCCN3CCN(CC3)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C2OC1)C(=O)CCCN3CCN(CC3)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3/c33-29(32-18-7-23-34-28-11-5-4-10-27(28)32)12-6-17-30-19-21-31(22-20-30)24-13-15-26(16-14-24)35-25-8-2-1-3-9-25/h1-5,8-11,13-16H,6-7,12,17-23H2