1-(4-tert-butylphenyl)carbonyl-3-chloranyl-azepan-2-one

Systemtic Name: 1-(4-tert-butylphenyl)carbonyl-3-chloranyl-azepan-2-one Openeye Name: 1-(4-tert-butylbenzoyl)-3-chloro-azepan-2-one CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-3-chloro-2-azepanone IUPAC Name: 1-(4-tert-butylbenzoyl)-3-chloroazepan-2-one Traditional Name: 1-(4-tert-butylbenzoyl)-3-chloro-azepan-2-one Formula: C17H22ClNO2 MolecularWeight: 307.81508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCC(C2=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCC(C2=O)Cl

InChI

InChI=1S/C17H22ClNO2/c1-17(2,3)13-9-7-12(8-10-13)15(20)19-11-5-4-6-14(18)16(19)21/h7-10,14H,4-6,11H2,1-3H3