4-(azepan-1-yl)-4-oxidanylidene-3-phenyl-butanal

Systemtic Name: 4-(azepan-1-yl)-4-oxidanylidene-3-phenyl-butanal Openeye Name: 4-(azepan-1-yl)-4-oxo-3-phenyl-butanal CAS Name: 4-(1-azepanyl)-4-oxo-3-phenylbutanal IUPAC Name: 4-(azepan-1-yl)-4-oxo-3-phenylbutanal Traditional Name: 4-(azepan-1-yl)-4-keto-3-phenyl-butyraldehyde Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c18-13-10-15(14-8-4-3-5-9-14)16(19)17-11-6-1-2-7-12-17/h3-5,8-9,13,15H,1-2,6-7,10-12H2