N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxidanylidene-3-phenethyl-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide

Systemtic Name: N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxidanylidene-3-phenethyl-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide Openeye Name: N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxo-3-phenethyl-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide CAS Name: N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxo-3-phenethyl-1,4-diazepan-5-yl]methyl]-2-naphthalenecarboxamide IUPAC Name: N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxo-3-phenethyl-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide Traditional Name: N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-keto-3-phenethyl-1,4-diazepan-5-yl]methyl]-2-naphthamide Formula: C39H39N3O2 MolecularWeight: 581.74586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(NC1CNC(=O)C2=CC3=CC=CC=C3C=C2)CCC4=CC=CC=C4)CC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)[C@@H](N[C@@H]1CNC(=O)C2=CC3=CC=CC=C3C=C2)CCC4=CC=CC=C4)CC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H39N3O2/c43-38(34-22-21-30-14-10-11-19-33(30)26-34)40-27-35-24-25-42(39(44)37(41-35)23-20-29-12-4-1-5-13-29)28-36(31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-19,21-22,26,35-37,41H,20,23-25,27-28H2,(H,40,43)/t35-,37-/m0/s1