(2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine

Systemtic Name: (2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine Openeye Name: (2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine CAS Name: (2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine IUPAC Name: (2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine Traditional Name: (2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)ON2CC=CCCC2C3=CC=CC=C3

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)ON2CC=CCC[C@H]2C3=CC=CC=C3

InChI

InChI=1S/C22H27NO/c1-2-12-22(20-15-8-4-9-16-20)24-23-18-11-5-10-17-21(23)19-13-6-3-7-14-19/h3-9,11,13-16,21-22H,2,10,12,17-18H2,1H3/t21-,22-/m0/s1