N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-N-(4-methylphenyl)benzo[b][1]benzoxepine-5-carboxamide

Systemtic Name: N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-N-(4-methylphenyl)benzo[b][1]benzoxepine-5-carboxamide Openeye Name: N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]-N-(p-tolyl)benzo[b][1]benzoxepine-5-carboxamide CAS Name: N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-benzo[b][1]benzoxepincarboxamide IUPAC Name: N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)benzo[b][1]benzoxepine-5-carboxamide Traditional Name: N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-N-(p-tolyl)benzo[b][1]benzoxepin-5-carboxamide Formula: C36H33FN2O3 MolecularWeight: 560.657223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3)C(=O)C4=CC5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3)C(=O)C4=CC5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C36H33FN2O3/c1-24-15-21-29(22-16-24)39(34(25-17-19-27(37)20-18-25)35(40)38-28-10-3-2-4-11-28)36(41)31-23-26-9-5-7-13-32(26)42-33-14-8-6-12-30(31)33/h5-9,12-23,28,34H,2-4,10-11H2,1H3,(H,38,40)