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

Systemtic Name: 4-chloranyl-5-methanoyl-2-(phenylmethyl)-2,3,6,7-tetrahydroazepine-1-carboxylate Openeye Name: 2-benzyl-4-chloro-5-formyl-2,3,6,7-tetrahydroazepine-1-carboxylate CAS Name: 4-chloro-5-formyl-2-(phenylmethyl)-2,3,6,7-tetrahydroazepine-1-carboxylate IUPAC Name: 2-benzyl-4-chloro-5-formyl-2,3,6,7-tetrahydroazepine-1-carboxylate Traditional Name: 2-benzyl-4-chloro-5-formyl-2,3,6,7-tetrahydroazepine-1-carboxylate Formula: C15H15ClNO3- MolecularWeight: 292.7375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC(=C1C=O)Cl)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CN(C(CC(=C1C=O)Cl)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H16ClNO3/c16-14-9-13(8-11-4-2-1-3-5-11)17(15(19)20)7-6-12(14)10-18/h1-5,10,13H,6-9H2,(H,19,20)/p-1