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

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-4-carbonitrile Openeye Name: 1-benzyl-5-chloro-2,3,6,7-tetrahydroazepine-4-carbonitrile CAS Name: 5-chloro-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-4-carbonitrile IUPAC Name: 1-benzyl-5-chloro-2,3,6,7-tetrahydroazepine-4-carbonitrile Traditional Name: 1-benzyl-5-chloro-2,3,6,7-tetrahydroazepine-4-carbonitrile Formula: C14H15ClN2 MolecularWeight: 246.7353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(=C1C#N)Cl)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC(=C1C#N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C14H15ClN2/c15-14-7-9-17(8-6-13(14)10-16)11-12-4-2-1-3-5-12/h1-5H,6-9,11H2