1-butyl-5,6-ditert-butyl-2H-azepin-7-one

Systemtic Name: 1-butyl-5,6-ditert-butyl-2H-azepin-7-one Openeye Name: 1-butyl-5,6-ditert-butyl-2H-azepin-7-one CAS Name: 1-butyl-5,6-ditert-butyl-2H-azepin-7-one IUPAC Name: 1-butyl-5,6-ditert-butyl-2H-azepin-7-one Traditional Name: 1-butyl-5,6-ditert-butyl-2H-azepin-7-one Formula: C18H31NO MolecularWeight: 277.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC=CC(=C(C1=O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCN1CC=CC(=C(C1=O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C18H31NO/c1-8-9-12-19-13-10-11-14(17(2,3)4)15(16(19)20)18(5,6)7/h10-11H,8-9,12-13H2,1-7H3