6-chloranyl-1-(phenylmethyl)-2,3,4,7-tetrahydroazepine-5-carbaldehyde

Systemtic Name: 6-chloranyl-1-(phenylmethyl)-2,3,4,7-tetrahydroazepine-5-carbaldehyde Openeye Name: 1-benzyl-6-chloro-2,3,4,7-tetrahydroazepine-5-carbaldehyde CAS Name: 6-chloro-1-(phenylmethyl)-2,3,4,7-tetrahydroazepine-5-carboxaldehyde IUPAC Name: 1-benzyl-6-chloro-2,3,4,7-tetrahydroazepine-5-carbaldehyde Traditional Name: 1-benzyl-6-chloro-2,3,4,7-tetrahydroazepine-5-carbaldehyde Formula: C14H16ClNO MolecularWeight: 249.73594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CN(C1)CC2=CC=CC=C2)Cl)C=O

Isomeric SMILES

C1CC(=C(CN(C1)CC2=CC=CC=C2)Cl)C=O

InChI

InChI=1S/C14H16ClNO/c15-14-10-16(8-4-7-13(14)11-17)9-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2