4-(azepan-2-yl)-4-oxidanylidene-3-phenyl-butanal

Systemtic Name: 4-(azepan-2-yl)-4-oxidanylidene-3-phenyl-butanal Openeye Name: 4-(azepan-2-yl)-4-oxo-3-phenyl-butanal CAS Name: 4-(2-azepanyl)-4-oxo-3-phenylbutanal IUPAC Name: 4-(azepan-2-yl)-4-oxo-3-phenylbutanal Traditional Name: 4-(azepan-2-yl)-4-keto-3-phenyl-butyraldehyde Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C(=O)C(CC=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(NCC1)C(=O)C(CC=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c18-12-10-14(13-7-3-1-4-8-13)16(19)15-9-5-2-6-11-17-15/h1,3-4,7-8,12,14-15,17H,2,5-6,9-11H2