3-(azepan-1-ylmethyl)-2,5-dimethyl-benzaldehyde

Systemtic Name: 3-(azepan-1-ylmethyl)-2,5-dimethyl-benzaldehyde Openeye Name: 3-(azepan-1-ylmethyl)-2,5-dimethyl-benzaldehyde CAS Name: 3-(1-azepanylmethyl)-2,5-dimethylbenzaldehyde IUPAC Name: 3-(azepan-1-ylmethyl)-2,5-dimethylbenzaldehyde Traditional Name: 3-(azepan-1-ylmethyl)-2,5-dimethyl-benzaldehyde Formula: C16H23NO MolecularWeight: 245.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=O)C)CN2CCCCCC2

Isomeric SMILES

CC1=CC(=C(C(=C1)C=O)C)CN2CCCCCC2

InChI

InChI=1S/C16H23NO/c1-13-9-15(14(2)16(10-13)12-18)11-17-7-5-3-4-6-8-17/h9-10,12H,3-8,11H2,1-2H3