N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[1-[[(1E)-1-cyclononenyl]methyl]-4-piperidinyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C33H42N2O2 MolecularWeight: 498.69878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)CC5=CCCCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)C/C/5=C/CCCCCCC5

InChI

InChI=1S/C33H42N2O2/c1-25-10-12-27(13-11-25)28-14-15-32-30(22-28)23-29(18-21-37-32)33(36)34-31-16-19-35(20-17-31)24-26-8-6-4-2-3-5-7-9-26/h8,10-15,22-23,31H,2-7,9,16-21,24H2,1H3,(H,34,36)/b26-8+