1-(4-tert-butylphenyl)-4-[4-(11-oxidanyl-6H-benzo[c][1]benzoxepin-11-yl)piperidin-1-yl]butan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-4-[4-(11-oxidanyl-6H-benzo[c][1]benzoxepin-11-yl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-tert-butylphenyl)-4-[4-(11-hydroxy-6H-benzo[c][1]benzoxepin-11-yl)-1-piperidyl]butan-1-one CAS Name: 1-(4-tert-butylphenyl)-4-[4-(11-hydroxy-6H-benzo[c][1]benzoxepin-11-yl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-(11-hydroxy-6H-benzo[c][1]benzoxepin-11-yl)piperidin-1-yl]butan-1-one Traditional Name: 1-(4-tert-butylphenyl)-4-[4-(11-hydroxy-6H-benzo[c][1]benzoxepin-11-yl)piperidino]butan-1-one Formula: C33H39NO3 MolecularWeight: 497.66766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C3(C4=CC=CC=C4COC5=CC=CC=C53)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C3(C4=CC=CC=C4COC5=CC=CC=C53)O

InChI

InChI=1S/C33H39NO3/c1-32(2,3)26-16-14-24(15-17-26)30(35)12-8-20-34-21-18-27(19-22-34)33(36)28-10-5-4-9-25(28)23-37-31-13-7-6-11-29(31)33/h4-7,9-11,13-17,27,36H,8,12,18-23H2,1-3H3