6-(azepan-1-yl)-2-bromanyl-4,4-diphenyl-heptan-3-one

Systemtic Name: 6-(azepan-1-yl)-2-bromanyl-4,4-diphenyl-heptan-3-one Openeye Name: 6-(azepan-1-yl)-2-bromo-4,4-diphenyl-heptan-3-one CAS Name: 6-(1-azepanyl)-2-bromo-4,4-diphenyl-3-heptanone IUPAC Name: 6-(azepan-1-yl)-2-bromo-4,4-diphenylheptan-3-one Traditional Name: 6-(azepan-1-yl)-2-bromo-4,4-diphenyl-heptan-3-one Formula: C25H32BrNO MolecularWeight: 442.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)C(C)Br)N3CCCCCC3

Isomeric SMILES

CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)C(C)Br)N3CCCCCC3

InChI

InChI=1S/C25H32BrNO/c1-20(27-17-11-3-4-12-18-27)19-25(24(28)21(2)26,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,20-21H,3-4,11-12,17-19H2,1-2H3