N-[4-[[(4-tert-butylcyclohexyl)-methyl-amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[4-[[(4-tert-butylcyclohexyl)-methyl-amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[(4-tert-butylcyclohexyl)-methyl-amino]methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[(4-tert-butylcyclohexyl)-methylamino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[(4-tert-butylcyclohexyl)-methylamino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[(4-tert-butylcyclohexyl)-methyl-amino]methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C36H44N2O2 MolecularWeight: 536.74676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCC(CC5)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCC(CC5)C(C)(C)C

InChI

InChI=1S/C36H44N2O2/c1-25-6-10-27(11-7-25)28-12-19-34-30(22-28)23-29(20-21-40-34)35(39)37-32-15-8-26(9-16-32)24-38(5)33-17-13-31(14-18-33)36(2,3)4/h6-12,15-16,19,22-23,31,33H,13-14,17-18,20-21,24H2,1-5H3,(H,37,39)