(3S)-3-[(R)-[(1S)-2-oxidanylidenecyclohexyl]-phenyl-methyl]-1-phenyl-azepan-2-one

Systemtic Name: (3S)-3-[(R)-[(1S)-2-oxidanylidenecyclohexyl]-phenyl-methyl]-1-phenyl-azepan-2-one Openeye Name: (3S)-3-[(R)-[(1S)-2-oxocyclohexyl]-phenyl-methyl]-1-phenyl-azepan-2-one CAS Name: (3S)-3-[(R)-[(1S)-2-oxocyclohexyl]-phenylmethyl]-1-phenyl-2-azepanone IUPAC Name: (3S)-3-[(R)-[(1S)-2-oxocyclohexyl]-phenylmethyl]-1-phenylazepan-2-one Traditional Name: (3S)-3-[(R)-[(1S)-2-ketocyclohexyl]-phenyl-methyl]-1-phenyl-azepan-2-one Formula: C25H29NO2 MolecularWeight: 375.50326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C2CCCCN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@@H](C1)[C@H]([C@@H]2CCCCN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29NO2/c27-23-17-8-7-15-21(23)24(19-11-3-1-4-12-19)22-16-9-10-18-26(25(22)28)20-13-5-2-6-14-20/h1-6,11-14,21-22,24H,7-10,15-18H2/t21-,22+,24-/m1/s1